N-[(12R,13S)-13-[(2R)-丁烷-2-基]-12-羟基-20-[(4-甲氧基苯基)甲基]-6,17,21-三甲基-3-(2-甲基丙基)-2,5,7,10,15,19,22-七氧代-8-丙-2-基-9,18-二氧杂-1,4,14,21-四氮杂双环[21.3.0]二十六烷-16-基]-4-甲基-2-甲基氨基戊酰胺
[CAS# 77327-04-9]

基本信息

• 产品名称: N-[(12R,13S)-13-[(2R)-丁烷-2-基]-12-羟基-20-[(4-甲氧基苯基)甲基]-6,17,21-三甲基-3-(2-甲基丙基)-2,5,7,10,15,19,22-七氧代-8-丙-2-基-9,18-二氧杂-1,4,14,21-四氮杂双环[21.3.0]二十六烷-16-基]-4-甲基-2-甲基氨基戊酰胺
• 英文名: N-[(12R,13S)-13-[(2R)-Butan-2-Yl]-12-Hydroxy-20-[(4-Methoxyphenyl)Methyl]-6,17,21-Trimethyl-3-(2-Methylpropyl)-2,5,7,10,15,19,22-Heptaoxo-8-Propan-2-Yl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]-4-Methyl-2-Methylaminopentanamide
• 别名: N-[(12R,13S)-12-Hydroxy-3-Isobutyl-8-Isopropyl-20-[(4-Methoxyphenyl)Methyl]-6,17,21-Trimethyl-2,5,7,10,15,19,22-Heptaoxo-13-Sec-Butyl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]-4-Methyl-2-Methylamino-Pentanamide; N-[(12R,13S)-12-Hydroxy-3-Isobutyl-8-Isopropyl-20-[(4-Methoxyphenyl)Methyl]-6,17,21-Trimethyl-2,5,7,10,15,19,22-Heptaoxo-13-Sec-Butyl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]-4-Methyl-2-Methylaminopentanamide; N-[(12R,13S)-12-Hydroxy-3-Isobutyl-8-Isopropyl-2,5,7,10,15,19,22-Heptaketo-20-(4-Methoxybenzyl)-6,17,21-Trimethyl-13-Sec-Butyl-9,18-Dioxa-1,4,14,21-Tetrazabicyclo[21.3.0]Hexacosan-16-Yl]-4-Methyl-2-Methylamino-Valeramide
• 分子式: C₄₉H₇₈N₆O₁₂
• 分子量: 943.19
• CAS 登录号: 77327-04-9
• 分子行输入简码 SMILES: [C@H]1(NC(C(C(C)OC(C(N(C)C(C2N(C(C(CC(C)C)NC(=O)C(C)C(C(OC(=O)C[C@H]1O)C(C)C)=O)=O)CCC2)=O)CC3=CC=C(OC)C=C3)=O)NC(=O)C(CC(C)C)NC)=O)[C@@H](CC)C
• 国际化学标识码 InChI: 1S/C49H78N6O12/c1-14-29(8)40-38(56)25-39(57)67-43(28(6)7)42(58)30(9)44(59)51-35(23-27(4)5)47(62)55-21-15-16-36(55)48(63)54(12)37(24-32-17-19-33(65-13)20-18-32)49(64)66-31(10)41(46(61)52-40)53-45(60)34(50-11)22-26(2)3/h17-20,26-31,34-38,40-41,43,50,56H,14-16,21-25H2,1-13H3,(H,51,59)(H,52,61)(H,53,60)/t29-,30?,31?,34?,35?,36?,37?,38-,40+,41?,43?/m1/s1
• 国际化学标识检索码 InChIKey: XQZOGOCTPKFYKC-YRETZQAMSA-N

物理化学性质

• 密度: 1.199g/cm³ （计算值）
• 沸点: 1134.93°C at 760 mmHg （计算值）
• 闪点: 640.182°C （计算值）