(2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-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]氨基]-4-甲基-1-氧代戊烷-2-基]-1-[(2S)-2-羟基丙酰基]-N-甲基吡咯烷-2-甲酰胺
[CAS# 77327-05-0]

基本信息

• 产品名称: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-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]氨基]-4-甲基-1-氧代戊烷-2-基]-1-[(2S)-2-羟基丙酰基]-N-甲基吡咯烷-2-甲酰胺
• 英文名: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-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]Amino]-4-Methyl-1-Oxopentan-2-Yl]-1-[(2S)-2-Hydroxypropanoyl]-N-Methylpyrrolidine-2-Carboxamide
• 别名: (2S)-N-[(1R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-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]Carbamoyl]-3-Methyl-Butyl]-1-[(2S)-2-Hydroxypropanoyl]-N-Methyl-Pyrrolidine-2-Carboxamide; (2S)-N-[(1R)-1-[[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-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]Amino]-Oxomethyl]-3-Methylbutyl]-1-[(2S)-2-Hydroxy-1-Oxopropyl]-N-Methyl-2-Pyrrolidinecarboxamide; (2S)-N-[(1R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-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]Carbamoyl]-3-Methyl-Butyl]-1-Lactoyl-N-Methyl-Pyrrolidine-2-Carboxamide
• 分子式: C₅₇H₈₉N₇O₁₅
• 分子量: 1112.37
• CAS 登录号: 77327-05-0
• 分子行输入简码 SMILES: [C@@H]2(NC(=O)[C@@H](NC(=O)[C@H](N(C(=O)[C@H]1N(C(=O)[C@@H](O)C)CCC1)C)CC(C)C)[C@H](OC(=O)[C@@H](N(C(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@H](C(=O)[C@@H](OC(=O)C[C@@H]2O)C(C)C)C)CC(C)C)CCC3)C)CC4=CC=C(OC)C=C4)C)[C@H](CC)C
• 国际化学标识码 InChI: 1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1
• 国际化学标识检索码 InChIKey: KYHUYMLIVQFXRI-SJPGYWQQSA-N

物理化学性质

• 密度: 1.248g/cm³ （计算值）
• 沸点: 1274.404°C at 760 mmHg （计算值）
• 闪点: 724.534°C （计算值）