N-[5-氨基-1-[(2-氨基-2-氧代乙基)氨基]-1-氧代戊烷-2-基]-1-[7-(2-氨基-2-氧代乙基)-10-(3-氨基-3-氧代丙基)-13-丁烷-2-基-16-[(4-羟基苯基)甲基]-20,20-二甲基-6,9,12,15,18-五氧代1,2-二硫杂-5,8,11,14,17-五氮杂环二十烷-4-羰基]吡咯烷-2-甲酰胺
[CAS# 72915-18-5]

基本信息

• 产品名称: N-[5-氨基-1-[(2-氨基-2-氧代乙基)氨基]-1-氧代戊烷-2-基]-1-[7-(2-氨基-2-氧代乙基)-10-(3-氨基-3-氧代丙基)-13-丁烷-2-基-16-[(4-羟基苯基)甲基]-20,20-二甲基-6,9,12,15,18-五氧代1,2-二硫杂-5,8,11,14,17-五氮杂环二十烷-4-羰基]吡咯烷-2-甲酰胺
• 英文名: 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-Hydroxyphenyl)Methyl]-20,20-Dimethyl-6,9,12,15,18-Pentaoxo1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxamide
• 别名: 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-Hydroxyphenyl)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-Hydroxyphenyl)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)-16-(4-Hydroxybenzyl)-6,9,12,15,18-Pentaketo-20,20-Dimethyl-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxamide
• 分子式: C₄₄H₆₈N₁₂O₁₂S₂
• 分子量: 1021.21
• CAS 登录号: 72915-18-5
• 分子行输入简码 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)O
• 国际化学标识码 InChI: 1S/C44H68N12O12S2/c1-5-23(2)36-42(67)52-27(14-15-32(46)58)38(63)53-29(19-33(47)59)39(64)54-30(43(68)56-17-7-9-31(56)41(66)51-26(8-6-16-45)37(62)49-21-34(48)60)22-69-70-44(3,4)20-35(61)50-28(40(65)55-36)18-24-10-12-25(57)13-11-24/h10-13,23,26-31,36,57H,5-9,14-22,45H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,61)(H,51,66)(H,52,67)(H,53,63)(H,54,64)(H,55,65)
• 国际化学标识检索码 InChIKey: BKRFXHBDNNTONS-UHFFFAOYSA-N

物理化学性质

• 密度: 1.26g/cm³ （计算值）
• 沸点: 1536.031°C at 760 mmHg （计算值）
• 闪点: 882.759°C （计算值）