N,N',N"-[(2,4,6-三氧代-1,3,5-三嗪 -1,3,5-(2H,4H,6H)-三基)三[亚甲基 (3,5,5-三甲基-3,1-环己烷二基)]]-三 [六氢化-2-氧代-1H-氮杂卓-1-甲酰胺

N,N',N''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1-diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide) · CAS 68975-83-7

中文名: N,N',N"-[(2,4,6-三氧代-1,3,5-三嗪 -1,3,5-(2H,4H,6H)-三基)三[亚甲基 (3,5,5-三甲基-3,1-环己烷二基)]]-三 [六氢化-2-氧代-1H-氮杂卓-1-甲酰胺
中文别名: 暂无
英文名: N,N',N''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1-diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)
CAS: 68975-83-7
CID: 112130
IUPAC 名称: 2-oxo-N-[3,3,5-trimethyl-5-[[2,4,6-trioxo-3,5-bis[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide

名称与编号

中文名: N,N',N"-[(2,4,6-三氧代-1,3,5-三嗪 -1,3,5-(2H,4H,6H)-三基)三[亚甲基 (3,5,5-三甲基-3,1-环己烷二基)]]-三 [六氢化-2-氧代-1H-氮杂卓-1-甲酰胺
中文别名: 暂无
英文名: N,N',N''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1-diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)
CAS: 68975-83-7
CID: 112130
IUPAC 名称: 2-oxo-N-[3,3,5-trimethyl-5-[[2,4,6-trioxo-3,5-bis[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide

分子属性

分子式: C54H87N9O9
分子量: 1006.3 g/mol
精确质量: 1005.66267539 Da
单同位素质量: 1005.66267539 Da
XLogP: 7.3
极性表面积: 209 Å²
氢键供体: 3
氢键受体: 9
可旋转键: 9
重原子数: 72
净电荷: 0
结构复杂度: 1890

结构标识

InChIKey: XAUGVXXNNOTSRJ-UHFFFAOYSA-N
SMILES: CC1(CC(CC(C1)(C)CN2C(=O)N(C(=O)N(C2=O)CC3(CC(CC(C3)(C)C)NC(=O)N4CCCCCC4=O)C)CC5(CC(CC(C5)(C)C)NC(=O)N6CCCCCC6=O)C)NC(=O)N7CCCCCC7=O)C
InChI: InChI=1S/C54H87N9O9/c1-49(2)25-37(55-43(67)58-22-16-10-13-19-40(58)64)28-52(7,31-49)34-61-46(70)62(35-53(8)29-38(26-50(3,4)32-53)56-44(68)59-23-17-11-14-20-41(59)65)48(72)63(47(61)71)36-54(9)30-39(27-51(5,6)33-54)57-45(69)60-24-18-12-15-21-42(60)66/h37-39H,10-36H2,1-9H3,(H,55,67)(H,56,68)(H,57,69)