1-(1-Mercaptocyclohexaneacetic acid)-2-(O-ethyl-D-tyrosine)-4-L-valine-8-(N5-(aminocarbonyl)-L-ornithine)vasopressin
[CAS# 92954-83-1]

Identification

• Name: 1-(1-Mercaptocyclohexaneacetic acid)-2-(O-ethyl-D-tyrosine)-4-L-valine-8-(N5-(aminocarbonyl)-L-ornithine)vasopressin
• Synonyms: (2S)-N-[1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-4-Ureido-Butyl]-1-[(10R,13S,16S,19R,22R)-13-(2-Amino-2-Oxo-Ethyl)-22-[(4-Ethoxyphenyl)Methyl]-16-Isopropyl-12,15,18,21,24-Pentaoxo-19-(Phenylmethyl)7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosane-10-Carbo
• Molecular Formula: C₅₃H₇₆N₁₂O₁₂S₂
• Molecular Weight: 1137.38
• CAS Registry Number: 92954-83-1
• SMILES: [C@@H]1(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CC2(SSC1)CCCCC2)CC3=CC=C(OCC)C=C3)CC4=CC=CC=C4)C(C)C)CC(=O)N)C(=O)N5[C@H](C(=O)NC(C(=O)NCC(=O)N)CCCNC(=O)N)CCC5
• InChI: 1S/C53H76N12O12S2/c1-4-77-34-19-17-33(18-20-34)26-36-46(70)61-37(25-32-13-7-5-8-14-32)48(72)64-44(31(2)3)50(74)62-38(27-41(54)66)47(71)63-39(30-78-79-53(28-43(68)59-36)21-9-6-10-22-53)51(75)65-24-12-16-40(65)49(73)60-35(15-11-23-57-52(56)76)45(69)58-29-42
• InChIKey: TTYMCOJYEUAKBL-KNZUBDGPSA-N