Properties
| Molecular Formula | Bpc-157: C₆₂H₉₈N₁₆O₂₂ Prezatide copper: C₁₄H₂₃CuN₆O₄⁺ Prezatide copper: C₁₆H₁₈ClN₃S |
| Molecular Weight | Bpc-157: 1419.5 Prezatide copper: 402.92 Prezatide copper: 4963 |
| Monoisotopic Mass | Bpc-157: 1418.70415882 Prezatide copper: 402.107675 Prezatide copper: 4960.4863169 |
| Polar Area | Bpc-157: 573 Prezatide copper: 179 Prezatide copper: 2250 |
| XLogP | Bpc-157: -9 Prezatide copper: -43.5 |
| Heavy Atom Count | Bpc-157:100 Prezatide copper:25 Prezatide copper: 347 |
| Hydrogen Bond Donor Count | Bpc-157: 16 Prezatide copper: 5 Prezatide copper: 72 |
| Hydrogen Bond Acceptor Count | Bpc-157: 24 Prezatide copper: 7 Prezatide copper: 88 |
| Rotatable Bond Count | Bpc-157: 39 Prezatide copper: 10 Prezatide copper: 180 |
| Hydrogen Bond Acceptor Count | Prezatide copper Laboratory Chemical Safety Summary Prezatide copper Laboratory Chemical Safety Summary Timbetasin Laboratory Chemical Safety Summary |
Identifiers
| CID | Bpc-157: 9941957 Prezatide copper: 71587328 Prezatide copper: 16132341 |
| InChI | Bpc-157:InChI=1SC62H98N16O22c1-31(2)25-37(55(92)74-50(32(3)4)62(99)100)71-46(81)29-65-51(88)33(5)67-53(90)38(26-48(84)85)73-54(91)39(27-49(86)87)72-52(89)34(6)68-57(94)41-15-10-21-75(41)58(95)35(13-7-8-20-63)70-45(80)30-66-56(93)40-14-9-22-76(40)60(97)43-17-12-24-78(43)61(98)42-16-11-23-77(42)59(96)36(18-19-47(82)83)69-44(79)28-64/h31-43,50H,7-30,63-64H2,1-6H3,(H,65,88)(H,66,93)(H,67,90)(H,68,94)(H,69,79)(H,70,80)(H,71,81)(H,72,89)(H,73,91)(H,74,92)(H,82,83)(H,84,85)(H,86,87)(H,99,100)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,50-/m0/s1 Prezatide copper: InChI=1S/C14H24N6O4.Cu/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);/q;+2/p-1/t10-,11-;/m0./s1 Timbetasin: InChI=1S/C212H350N56O78S/c1-16-106(7)166(261-190(323)131(64-75-160(292)293)231-172(305)109(10)228-174(307)134(78-91-347-15)245-196(329)140(98-165(302)303)255-201(334)147-53-39-88-266(147)209(342)135(52-29-38-87-221)250-197(330)139(97-164(300)301)254-198(331)143(100-269)229-113(14)276)204(337)246-129(62-73-158(288)289)187(320)233-118(47-24-33-82-216)179(312)252-137(94-114-42-19-18-20-43-114)194(327)253-138(96-163(298)299)195(328)237-121(50-27-36-85-219)181(314)258-144(101-270)199(332)239-119(48-25-34-83-217)178(311)251-136(92-104(3)4)193(326)236-116(45-22-31-80-214)175(308)235-122(51-28-37-86-220)189(322)263-168(110(11)273)207(340)249-133(66-77-162(296)297)192(325)264-169(111(12)274)206(339)248-126(58-69-152(224)279)184(317)243-128(61-72-157(286)287)186(319)234-120(49-26-35-84-218)180(313)256-142(95-153(225)280)211(344)268-90-40-54-148(268)202(335)257-141(93-105(5)6)210(343)267-89-41-55-149(267)203(336)259-145(102-271)200(333)238-117(46-23-32-81-215)177(310)244-132(65-76-161(294)295)191(324)265-170(112(13)275)208(341)262-167(107(8)17-2)205(338)247-130(63-74-159(290)291)188(321)241-125(57-68-151(223)278)183(316)242-127(60-71-156(284)285)185(318)232-115(44-21-30-79-213)176(309)240-124(56-67-150(222)277)173(306)227-108(9)171(304)226-99-154(281)230-123(59-70-155(282)283)182(315)260-146(103-272)212(345)346/h18-20,42-43,104-112,115-149,166-170,269-275H,16-17,21-41,44-103,213-221H2,1-15H3,(H2,222,277) |
| InChIKey | Bpc-157: HEEWEZGQMLZMFE-RKGINYAYSA-N Prezatide copper: NZWIFMYRRhttps://www.google.com/search?q=CMYMN-Ahttps://www.google.com/search?q=CMTZBLWSA-M Timbetasin: UGPMhttps://www.google.com/search?q=CIBIHRShttps://www.google.com/search?q=CBV-XNBOLLIBSA-N |
| Isometric SMILES | Bpc-157: https://www.google.com/search?q=C[https://www.google.com/search?q=C@@H](https://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)Nhttps://www.google.com/search?q=Chttps://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)Nhttps://www.google.com/search?q=C(=O)[https://www.google.com/search?q=C@@H]1https://www.google.com/search?q=CCCN1https://www.google.com/search?q=C(=O)C@@HNhttps://www.google.com/search?q=C(=O)https://www.google.com/search?q=CNhttps://www.google.com/search?q=C(=O)[https://www.google.com/search?q=C@@H]2https://www.google.com/search?q=CCCN2https://www.google.com/search?q=C(=O)[https://www.google.com/search?q=C@@H]3https://www.google.com/search?q=CCCN3https://www.google.com/search?q=C(=O)[https://www.google.com/search?q=C@@H]4https://www.google.com/search?q=CCCN4https://www.google.com/search?q=C(=O)C@@HNhttps://www.google.com/search?q=C(=O)https://www.google.com/search?q=CN Prezatide copper: https://www.google.com/search?q=C1=https://www.google.com/search?q=C(Nhttps://www.google.com/search?q=C=N1)https://www.google.com/search?q=CC@@HNhttps://www.google.com/search?q=C(=O)https://www.google.com/search?q=CN.[https://www.google.com/search?q=Cu+2] |
| Canonical SMILES | Bpc-157: https://www.google.com/search?q=C[https://www.google.com/search?q=C@@H](https://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)Nhttps://www.google.com/search?q=Chttps://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)NC@@Hhttps://www.google.com/search?q=C(=O)Nhttps://www.google.com/search?q=C(=O)[https://www.google.com/search?q=C@@H]1https://www.google.com/search?q=CCCN1https://www.google.com/search?q=C(=O)C@@HNhttps://www.google.com/search?q=C(=O)https://www.google.com/search?q=CNhttps://www.google.com/search?q=C(=O)[https://www.google.com/search?q=C@@H]2https://www.google.com/search?q=CCCN2https://www.google.com/search?q=C(=O)[https://www.google.com/search?q=C@@H]3https://www.google.com/search?q=CCCN3https://www.google.com/search?q=C(=O)[https://www.google.com/search?q=C@@H]4https://www.google.com/search?q=CCCN4https://www.google.com/search?q=C(=O)C@@HNhttps://www.google.com/search?q=C(=O)https://www.google.com/search?q=CN Prezatide copper: https://www.google.com/search?q=C1=https://www.google.com/search?q=C(Nhttps://www.google.com/search?q=C=N1)https://www.google.com/search?q=CC@@HNhttps://www.google.com/search?q=C(=O)https://www.google.com/search?q=CN.[https://www.google.com/search?q=Cu+2] |
| IUPAC Name | Bpc-157: (4S)-4-[(2-aminoacetyl)amino]-5-[(2S)-2-[(2S)-2-[(2S)-2-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-oxopentanoic acid Prezatide copper: copper (2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate Timbetasin: InChI=1S/C212H350N56O78S/c1-16-106(7)166(261-190(323)131(64-75-160(292)293)231-172(305)109(10)228-174(307)134(78-91-347-15)245-196(329)140(98-165(302)303)255-201(334)147-53-39-88-266(147)209(342)135(52-29-38-87-221)250-197(330)139(97-164(300)301)254-198(331)143(100-269)229-113(14)276)204(337)246-129(62-73-158(288)289)187(320)233-118(47-24-33-82-216)179(312)252-137(94-114-42-19-18-20-43-114)194(327)253-138(96-163(298)299)195(328)237-121(50-27-36-85-219)181(314)258-144(101-270)199(332)239-119(48-25-34-83-217)178(311)251-136(92-104(3)4)193(326)236-116(45-22-31-80-214)175(308)235-122(51-28-37-86-220)189(322)263-168(110(11)273)207(340)249-133(66-77-162(296)297)192(325)264-169(111(12)274)206(339)248-126(58-69-152(224)279)184(317)243-128(61-72-157(286)287)186(319)234-120(49-26-35-84-218)180(313)256-142(95-153(225)280)211(344)268-90-40-54-148(268)202(335)257-141(93-105(5)6)210(343)267-89-41-55-149(267)203(336)259-145(102-271)200(333)238-117(46-23-32-81-215)177(310)244-132(65-76-161(294)295)191(324)265-170(112(13)275)208(341)262-167(107(8)17-2)205(338)247-130(63-74-159(290)291)188(321)241-125(57-68-151(223)278)183(316)242-127(60-71-156(284)285)185(318)232-115(44-21-30-79-213)176(309)240-124(56-67-150(222)277)173(306)227-108(9)171(304)226-99-154(281)230-123(59-70-155(282)283)182(315)260-146(103-272)212(345)346/h18-20,42-43,104-112,115-149,166-170,269-275H,16-17,21-41,44-103,213-221H2,1-15H3,(H2,222,277)(H2,223,278)(H2,224,279)(H2,225,280)(H,226,304)(H,227,306)(H,228,307)(H,229,276)(H,230,281)(H,231,305)(H,232,318)(H,233,320)(H,234,319)(H,235,308)(H,236,326)(H,237,328)(H,238,333)(H,239,332)(H,240,309)(H,241,321)(H,242,316)(H,243,317)(H,244,310)(H,245,329)(H,246,337)(H,247,338)(H,248,339)(H,249,340)(H,250,330)(H,251,311)(H,252,312)(H,253,327)(H,254,331)(H,255,334)(H,256,313)(H,257,335)(H,258,314)(H,259,336)(H,260,315)(H,261,323)(H,262,341)(H,263,322)(H,264,325)(H,265,324)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,345,346)/t106-,107-,108-,109-,110+,111+,112+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,166-,167-,168-,169-,170-/m0/s1 |







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