9-Desglycyl-(2-phenylalanyl-8-ornithine)-vasopressin
[CAS# 102146-01-0]

Identification

• Name: 9-Desglycyl-(2-phenylalanyl-8-ornithine)-vasopressin
• Synonyms: (2S)-5-Amino-2-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-6,9,12,15,18-Pentaoxo-13,16-Bis(Phenylmethyl)1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Pentanoic Acid; (2S)-5-Amino-2-[[[(2S)-1-[[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-6,9,12,15,18-Pentaoxo-13,16-Bis(Phenylmethyl)-1,2-Dithia-5,8,11,14,17-Pentazacycloicos-4-Yl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]Pentanoic Acid; (2S)-5-Amino-2-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-Amino-7-(2-Amino-2-Keto-Ethyl)-10-(3-Amino-3-Keto-Propyl)-13,16-Bis(Benzyl)-6,9,12,15,18-Pentaketo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Valeric Acid
• Molecular Formula: C₄₃H₅₉N₁₁O₁₁S₂
• Molecular Weight: 970.13
• CAS Registry Number: 102146-01-0
• SMILES: [C@H]1(NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N2[C@H](C(=O)N[C@H](C(=O)O)CCCN)CCC2)CC3=CC=CC=C3)CC4=CC=CC=C4
• InChI: 1S/C43H59N11O11S2/c44-17-7-13-28(43(64)65)49-41(62)33-14-8-18-54(33)42(63)32-23-67-66-22-26(45)36(57)50-29(19-24-9-3-1-4-10-24)39(60)51-30(20-25-11-5-2-6-12-25)38(59)48-27(15-16-34(46)55)37(58)52-31(21-35(47)56)40(61)53-32/h1-6,9-12,26-33H,7-8,13-23,44-45H2,(H2,46,55)(H2,47,56)(H,48,59)(H,49,62)(H,50,57)(H,51,60)(H,52,58)(H,53,61)(H,64,65)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
• InChIKey: DBSFWUHPLRTTIQ-DKTXOJPGSA-N