(2R)-2-Amino-3-({(2R)-2-[(4-amino-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-4-oxobutanoyl)amino]-3-[(2S)-2-({(2S)-1-[(2-amino-2-oxoethyl)amino]-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}carbamoyl) -1-pyrrolidinyl]-3-oxopropyl}disulfanyl)propanoic acid
[CAS# 87619-87-2]

Identification

• Name: (2R)-2-Amino-3-({(2R)-2-[(4-amino-2-{[(2S)-2,5-diamino-5-oxopentanoyl]amino}-4-oxobutanoyl)amino]-3-[(2S)-2-({(2S)-1-[(2-amino-2-oxoethyl)amino]-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}carbamoyl) -1-pyrrolidinyl]-3-oxopropyl}disulfanyl)propanoic acid
• Synonyms: Arginine vasopressin (4-9); argipressin (4-9)
• Molecular Formula: C₂₈H₄₉N₁₃O₁₀S₂
• Molecular Weight: 791.90
• CAS Registry Number: 87619-87-2
• SMILES: O=C(N[C@H](C(=O)NCC(=O)N)CCC/N=C(\N)N)[C@H]1N(C(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](N)CCC(=O)N)CC(=O)N)CSSC[C@@H](C(=O)O)N)CCC1
• InChI: 1S/C28H49N13O10S2/c29-13(5-6-19(31)42)22(45)39-16(9-20(32)43)24(47)40-17(12-53-52-11-14(30)27(50)51)26(49)41-8-2-4-18(41)25(48)38-15(3-1-7-36-28(34)35)23(46)37-10-21(33)44/h13-18H,1-12,29-30H2,(H2,31,42)(H2,32,43)(H2,33,44)(H,37,46)(H,38,48)(H,39,45)(H,40,47)(H,50,51)(H4,34,35,36)/t13-,14-,15-,16?,17-,18-/m0/s1
• InChIKey: QLKCJPVQOVZUPP-XOQXHNSSSA-N

Properties

• Density: 1.697g/cm³ (Cal.)