N-[(2S)-4-氨基-1-{[(2S,3R)-1-{[(2S)-4-氨基-1-氧代-1-({(3S,6S,9S,12S,15R,18S,21S)-6,9,18-三(2-氨基乙基)-15-苄基-12-[(2S)-2-丁炔基]-3-[(1R)-1-羟基乙基]-2,5,8,11,14,17,20-七氧代-1,4,7,10,13,16,19-七氮杂环二十三烷-21-基}氨基)-2-丁炔基]氨基}-3-羟基-1-氧代-2-丁炔基]氨基}-1-氧代-2-丁炔基]-6-甲基辛烷酰胺
[CAS# 80469-10-9]

基本信息

• 产品名称: N-[(2S)-4-氨基-1-{[(2S,3R)-1-{[(2S)-4-氨基-1-氧代-1-({(3S,6S,9S,12S,15R,18S,21S)-6,9,18-三(2-氨基乙基)-15-苄基-12-[(2S)-2-丁炔基]-3-[(1R)-1-羟基乙基]-2,5,8,11,14,17,20-七氧代-1,4,7,10,13,16,19-七氮杂环二十三烷-21-基}氨基)-2-丁炔基]氨基}-3-羟基-1-氧代-2-丁炔基]氨基}-1-氧代-2-丁炔基]-6-甲基辛烷酰胺
• 英文名: N-[(2S)-4-Amino-1-{[(2S,3R)-1-{[(2S)-4-amino-1-oxo-1-({(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-[(2S)-2-butanyl]-3-[(1R)-1-hydroxyethyl]-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13 ,16,19-heptaazacyclotricosan-21-yl}amino)-2-butanyl]amino}-3-hydroxy-1-oxo-2-butanyl]amino}-1-oxo-2-butanyl]-6-methyloctanamide
• 别名: "N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16; ,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide"; N-((S)-4-amino-1-(((2S,3R)-1-(((S)-4-amino-1-oxo-1-(((3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-12-((S)-sec-butyl)-3-((R)-1-hydroxyethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl)amino)butan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-1-oxobutan-2-yl)-6-methyloctanamide
• 分子式: C₅₆H₉₈N₁₆O₁₃
• 分子量: 1203.48
• CAS 登录号: 80469-10-9
• 分子行输入简码 SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC)[C@@H](C)O)CCN)CCN
• 国际化学标识码 InChI: 1S/C56H98N16O13/c1-7-31(3)14-12-13-17-43(75)63-36(18-24-57)51(80)72-46(34(6)74)56(85)68-39(21-27-60)48(77)66-41-23-29-62-54(83)45(33(5)73)71-52(81)40(22-28-61)65-47(76)38(20-26-59)67-55(84)44(32(4)8-2)70-53(82)42(30-35-15-10-9-11-16-35)69-49(78)37(19-25-58)64-50(41)79/h9-11,15-16,31-34,36-42,44-46,73-74H,7-8,12-14,17-30,57-61H2,1-6H3,(H,62,83)(H,63,75)(H,64,79)(H,65,76)(H,66,77)(H,67,84)(H,68,85)(H,69,78)(H,70,82)(H,71,81)(H,72,80)/t31?,32-,33+,34+,36-,37-,38-,39-,40-,41-,42+,44-,45-,46-/m0/s1
• 国际化学标识检索码 InChIKey: YAMZKVXJHUGXEM-DCFHCFNESA-N

物理化学性质

• 密度: 1.3±0.1g/cm³ （计算值）
• 沸点: 1571.4±65.0°C at 760 mmHg （计算值）
• 闪点: 904.1±34.3°C （计算值）