2-L-tryptophan-Oxytocin
[CAS# 37883-08-2]

Identification

• Name: 2-L-tryptophan-Oxytocin
• Synonyms: (2S)-1-[(4R,7S,10S,16S,19R)-19-Amino-7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-16-(1H-Indol-3-Ylmethyl)-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]-N-[(1S)-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-3-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-(1H-Indol-3-Ylmethyl)-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicos-4-Yl]-Oxomethyl]-N-[(1S)-1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-3-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-(1H-Indol-3-Ylmethyl)-6,9,12,15,18-Pentaketo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]-N-[(1S)-1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-3-Methyl-Butyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₅H₆₇N₁₃O₁₁S₂
• Molecular Weight: 1030.22
• CAS Registry Number: 37883-08-2
• SMILES: [C@@H](C1NC(=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)NCC(=O)N)CC(C)C)CCC2)CC3=C[NH]C4=C3C=CC=C4)(CC)C
• InChI: 1S/C45H67N13O11S2/c1-5-23(4)37-44(68)52-28(12-13-34(47)59)40(64)54-31(17-35(48)60)41(65)56-32(45(69)58-14-8-11-33(58)43(67)55-29(15-22(2)3)39(63)51-19-36(49)61)21-71-70-20-26(46)38(62)53-30(42(66)57-37)16-24-18-50-27-10-7-6-9-25(24)27/h6-7,9-10,18,22-23,26,28-33,37,50H,5,8,11-17,19-21,46H2,1-4H3,(H2,47,59)(H2,48,60)(H2,49,61)(H,51,63)(H,52,68)(H,53,62)(H,54,64)(H,55,67)(H,56,65)(H,57,66)/t23-,26-,28-,29-,30-,31-,32-,33-,37?/m0/s1
• InChIKey: QRQNVNIGKHFIAE-MKJWXHGWSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 1558.222°C at 760 mmHg (Cal.)
• Flash point: 896.18°C (Cal.)