(1-Mercapto-4-Phenylcyclohexaneacetic Acid)(1)-Argipressin
[CAS# 119617-73-1]

Identification

• Name: (1-Mercapto-4-Phenylcyclohexaneacetic Acid)(1)-Argipressin
• Synonyms: 1-(1-Mercapto-4-phenylcyclohexaneacetic acid)-argipressin; Arginine vasopressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)-; Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)-
• Molecular Formula: C₅₇H₇₆N₁₄O₁₂S₂
• Molecular Weight: 1213.43
• CAS Registry Number: 119617-73-1
• SMILES: O=C(N)CNC(=O)[C@H](NC(=O)[C@H]6N(C(=O)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC3(SSC1)CCC(c2ccccc2)CC3)Cc4ccc(O)cc4)Cc5ccccc5)CCC(=O)N)CC(=O)N)CCC6)CCC/N=C(\N)N
• InChI: 1S/C57H76N14O12S2/c58-45(73)20-19-39-50(78)69-42(29-46(59)74)53(81)70-43(55(83)71-26-8-14-44(71)54(82)67-38(13-7-25-63-56(61)62)49(77)64-31-47(60)75)32-84-85-57(23-21-36(22-24-57)35-11-5-2-6-12-35)30-48(76)65-40(28-34-15-17-37(72)18-16-34)51(79)68-41(52(80)66-39)27-33-9-3-1-4-10-33/h1-6,9-12,15-18,36,38-44,72H,7-8,13-14,19-32H2,(H2,58,73)(H2,59,74)(H2,60,75)(H,64,77)(H,65,76)(H,66,80)(H,67,82)(H,68,79)(H,69,78)(H,70,81)(H4,61,62,63)/t36?,38-,39+,40+,41-,42+,43-,44+,57?/m1/s1
• InChIKey: VQHRAMWIAFEDBU-DFOSUUEPSA-N

Properties

• Density: 1.502g/cm³ (Cal.)
• Refractive index: 1.706 (Cal.)