8-L-isoleucine-Oxytocin
[CAS# 362-39-0]

Identification

• Name: 8-L-isoleucine-Oxytocin
• Synonyms: (2S)-1-[(4R,7S,10S,16S,19R)-19-Amino-7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]-N-[(1S,2S)-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-2-Methyl-Butyl]Pyrrolidine-2-Carboxamide; (2S)-1-[[(4R,7S,10S,16S,19R)-19-Amino-7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicos-4-Yl]-Oxomethyl]-N-[(1S,2S)-1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-2-Methylbutyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(4R,7S,10S,16S,19R)-19-Amino-7-(2-Amino-2-Keto-Ethyl)-10-(3-Amino-3-Keto-Propyl)-16-(4-Hydroxybenzyl)-6,9,12,15,18-Pentaketo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]-N-[(1S,2S)-1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-2-Methyl-Butyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₃H₆₆N₁₂O₁₂S₂
• Molecular Weight: 1007.19
• CAS Registry Number: 362-39-0
• SMILES: [C@@H]3(N(C(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](N)CSSC1)CC2=CC=C(O)C=C2)[C@H](CC)C)CCC(=O)N)CC(=O)N)CCC3)C(=O)N[C@H](C(=O)NCC(=O)N)[C@H](CC)C
• InChI: 1S/C43H66N12O12S2/c1-5-21(3)34(41(65)48-18-33(47)59)54-40(64)30-8-7-15-55(30)43(67)29-20-69-68-19-25(44)36(60)50-27(16-23-9-11-24(56)12-10-23)39(63)53-35(22(4)6-2)42(66)49-26(13-14-31(45)57)37(61)51-28(17-32(46)58)38(62)52-29/h9-12,21-22,25-30,34-35,56H,5-8,13-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,65)(H,49,66)(H,50,60)(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t21-,22-,25-,26-,27-,28-,29-,30-,34-,35?/m0/s1
• InChIKey: SILDPWPVKZETMP-JJMMJPKZSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 1533.338°C at 760 mmHg (Cal.)
• Flash point: 881.131°C (Cal.)