1-{[(4R,7S,10S,13R,16S,19R)-19-Acetamido-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-methoxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl} prolyl-N⁵-(diaminomethylene)-L-ornithylglycinamide
[CAS# 73609-49-1]

Identification

• Name: 1-{[(4R,7S,10S,13R,16S,19R)-19-Acetamido-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-methoxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl} prolyl-N⁵-(diaminomethylene)-L-ornithylglycinamide
• Synonyms: Amt-argipressin; N-Acetyl-2-(O-methyl-tyr)-8-arg-vasopressin
• Molecular Formula: C₄₉H₆₉N₁₅O₁₃S₂
• Molecular Weight: 1140.29
• CAS Registry Number: 73609-49-1
• SMILES: O=C(N)CNC(=O)[C@@H](NC(=O)C4N(C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CSSC1)Cc2ccc(OC)cc2)Cc3ccccc3)CCC(=O)N)CC(=O)N)CCC4)CCC/N=C(\N)N
• InChI: 1S/C49H69N15O13S2/c1-26(65)57-35-24-78-79-25-36(48(76)64-19-7-11-37(64)47(75)59-30(10-6-18-55-49(53)54)41(69)56-23-40(52)68)63-45(73)34(22-39(51)67)62-42(70)31(16-17-38(50)66)58-43(71)32(20-27-8-4-3-5-9-27)60-44(72)33(61-46(35)74)21-28-12-14-29(77-2)15-13-28/h3-5,8-9,12-15,30-37H,6-7,10-11,16-25H2,1-2H3,(H2,50,66)(H2,51,67)(H2,52,68)(H,56,69)(H,57,65)(H,58,71)(H,59,75)(H,60,72)(H,61,74)(H,62,70)(H,63,73)(H4,53,54,55)/t30-,31-,32+,33-,34-,35-,36-,37?/m0/s1
• InChIKey: IAOHKHGHDDEQIH-KYKDGQPNSA-N

Properties

• Density: 1.538g/cm³ (Cal.)