N-[5-Amino-1-[(2-Amino-2-Oxoethyl)Amino]-1-Oxopentan-2-Yl]-1-[7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-13-Butan-2-Yl-16-[(4-Methoxyphenyl)Methyl]-20,20-Dimethyl-6,9,12,15,18-Pentaoxo1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxamide
[CAS# 72915-19-6]

Identification

• Name: N-[5-Amino-1-[(2-Amino-2-Oxoethyl)Amino]-1-Oxopentan-2-Yl]-1-[7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-13-Butan-2-Yl-16-[(4-Methoxyphenyl)Methyl]-20,20-Dimethyl-6,9,12,15,18-Pentaoxo1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxamide
• Synonyms: N-[4-Amino-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]Butyl]-1-[7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-16-[(4-Methoxyphenyl)Methyl]-20,20-Dimethyl-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxamide; N-[4-Amino-1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]Butyl]-1-[[7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-16-[(4-Methoxyphenyl)Methyl]-20,20-Dimethyl-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicos-4-Yl]-Oxomethyl]-2-Pyrrolidinecarboxamide; N-[4-Amino-1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]Butyl]-1-[7-(2-Amino-2-Keto-Ethyl)-10-(3-Amino-3-Keto-Propyl)-6,9,12,15,18-Pentaketo-16-(4-Methoxybenzyl)-20,20-Dimethyl-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₅H₇₀N₁₂O₁₂S₂
• Molecular Weight: 1035.24
• CAS Registry Number: 72915-19-6
• SMILES: C3=C(CC1NC(=O)CC(SSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(CC)C)CCC(=O)N)CC(=O)N)C(=O)N2C(C(=O)NC(C(=O)NCC(=O)N)CCCN)CCC2)(C)C)C=CC(=C3)OC
• InChI: 1S/C45H70N12O12S2/c1-6-24(2)37-43(67)53-28(15-16-33(47)58)39(63)54-30(20-34(48)59)40(64)55-31(44(68)57-18-8-10-32(57)42(66)52-27(9-7-17-46)38(62)50-22-35(49)60)23-70-71-45(3,4)21-36(61)51-29(41(65)56-37)19-25-11-13-26(69-5)14-12-25/h11-14,24,27-32,37H,6-10,15-23,46H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,65)
• InChIKey: RZDRLQFTCGODFV-UHFFFAOYSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 1508.149°C at 760 mmHg (Cal.)
• Flash point: 865.897°C (Cal.)