31-Ser-acthalpha (18-39)
[CAS# 53917-42-3]

Identification

• Name: 31-Ser-acthalpha (18-39)
• Synonyms: Acth(18-39); Acthalpha(18-39), Ser(31)-; Acthalpha(18-39), Serine(31)-
• Molecular Formula: C₁₁₂H₁₆₅N₂₇O₃₆
• Molecular Weight: 2465.69
• CAS Registry Number: 53917-42-3
• SMILES: [C@H](C(N4[C@H](C(N[C@@H](CC(=O)N)C(NCC(N[C@@H](C)C(N[C@@H](CCC(=O)O)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N2[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CC=CC=C1)C(O)=O)=O)CCC(=O)O)=O)CC(C)C)=O)CCC2)=O)CC3=CC=CC=C3)=O)C)=O)CCC(=O)O)=O)C)=O)CO)=O)CCC(=O)O)=O)CC(O)=O)=O)=O)=O)=O)=O)CCC4)=O)(NC([C@@H](NC([C@@H](NC([C@@H](NC(C5N(CCC5)C(=O)[C@H](CCCNC(N)=N)N)=O)C(C)C)=O)CCCCN)=O)C(C)C)=O)CC6=CC=C(C=C6)O
• InChI: 1S/C112H165N27O36/c1-56(2)48-72(100(163)125-70(37-41-86(148)149)97(160)133-77(111(174)175)51-63-24-14-11-15-25-63)129-103(166)79-28-20-46-138(79)109(172)75(49-62-22-12-10-13-23-62)131-93(156)61(9)121-95(158)68(35-39-84(144)145)123-92(155)60(8)122-102(165)78(55-140)134-98(161)71(38-42-87(150)151)126-101(164)74(53-88(152)153)128-96(159)69(36-40-85(146)147)124-91(154)59(7)120-83(143)54-119-94(157)73(52-82(115)142)130-104(167)80-29-21-47-139(80)110(173)76(50-64-31-33-65(141)34-32-64)132-107(170)89(57(3)4)135-99(162)67(27-16-17-43-113)127-106(169)90(58(5)6)136-105(168)81-30-19-45-137(81)108(171)66(114)26-18-44-118-112(116)117/h10-15,22-25,31-34,56-61,66-81,89-90,140-141H,16-21,26-30,35-55,113-114H2,1-9H3,(H2,115,142)(H,119,157)(H,120,143)(H,121,158)(H,122,165)(H,123,155)(H,124,154)(H,125,163)(H,126,164)(H,127,169)(H,128,159)(H,129,166)(H,130,167)(H,131,156)(H,132,170)(H,133,160)(H,134,161)(H,135,162)(H,136,168)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H,174,175)(H4,116,117,118)/t59-,60-,61-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81?,89-,90-/m0/s1
• InChIKey: ZYDMZKPAPSZILB-XDGGXQJNSA-N