benzyl ((3R,4S,7S,10S,11R)-16-(benzyloxy)-11-((tert-butyldimethylsilyl)oxy)-3-ethyl-7-isopropyl-3-methyl-10-((N-methyl-2-nitrophenyl)sulfonamido)-6,9-dioxo-2-oxa-5,8-diaza-1(1,3)-benzenacycloundecaphane-4-carbonyl)glycinate | 401606-75-5

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

——

中文别名

——

英文名称

benzyl ((3R,4S,7S,10S,11R)-16-(benzyloxy)-11-((tert-butyldimethylsilyl)oxy)-3-ethyl-7-isopropyl-3-methyl-10-((N-methyl-2-nitrophenyl)sulfonamido)-6,9-dioxo-2-oxa-5,8-diaza-1(1,3)-benzenacycloundecaphane-4-carbonyl)glycinate

英文别名

——

benzyl ((3R,4S,7S,10S,11R)-16-(benzyloxy)-11-((tert-butyldimethylsilyl)oxy)-3-ethyl-7-isopropyl-3-methyl-10-((N-methyl-2-nitrophenyl)sulfonamido)-6,9-dioxo-2-oxa-5,8-diaza-1(1,3)-benzenacycloundecaphane-4-carbonyl)glycinate化学式

CAS

401606-75-5

化学式

C₄₉H₆₃N₅O₁₂SSi

mdl

——

分子量

974.217

InChiKey

RKNZRKORNGIWGW-PKDVVENGSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

6.97
重原子数：

68.0
可旋转键数：

16.0
环数：

5.0
sp3杂化的碳原子比例：

0.43
拓扑面积：

221.81
氢给体数：

3.0
氢受体数：

12.0

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	benzyl 2-[[(3R,4S,7S,10S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methyl-10-[(2-nitrophenyl)sulfonylamino]-6,9-dioxo-15-phenylmethoxy-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-4-carbonyl]amino]acetate	401606-71-1	C₄₈H₆₁N₅O₁₂SSi	960.19
——	N-[(3R,4R,7S,10S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-(hydroxymethyl)-3-methyl-6,9-dioxo-15-phenylmethoxy-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-10-yl]-2-nitrobenzenesulfonamide	401606-70-0	C₃₉H₅₄N₄O₁₀SSi	799.03
——	benzyl ((3R,4R,7S,10S,11R)-16-(benzyloxy)-11-((tert-butyldimethylsilyl)oxy)-3-ethyl-7-isopropyl-4-((methoxymethoxy)methyl)-3-methyl-6,9-dioxo-2-oxa-5,8-diaza-1(1,3)-benzenacycloundecaphane-10-yl)carbamate	401606-67-5	C₄₃H₆₁N₃O₉Si	792.058
——	benzyl N-[(3R,4R,7S,10S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-(hydroxymethyl)-3-methyl-6,9-dioxo-15-phenylmethoxy-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-10-yl]carbamate	401606-68-6	C₄₁H₅₇N₃O₈Si	748.004
——	ethyl (2S,3R)-3-(4-(benzyloxy)-3-(((7S,10R,11R)-7-isopropyl-10-((methoxymethoxy)methyl)-2,2,3,3,11-pentamethyl-5,8-dioxo-4-oxa-6,9-diaza-3-silatridecan-11-yl)oxy)phenyl)-2-(((benzyloxy)carbonyl)amino)-3-((tert-butyldimethylsilyl)oxy)propanoate	401606-65-3	C₅₂H₈₁N₃O₁₂Si₂	996.399
——	(3R,4R,7S,10S,11R)-10-amino-11-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-(hydroxymethyl)-3-methyl-15-phenylmethoxy-7-propan-2-yl-2-oxa-5,8-diazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene-6,9-dione	401606-69-7	C₃₃H₅₁N₃O₆Si	613.87