HCID18341503

N-(8-oxo-4-oxa-1,7-diaza-tricyclo-[9.6.1.012,17]-octadeca-11(18), 12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl ester

benzyl 4-oxo-4-[(8-oxo-4-oxa-1,7-diazatricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-9-yl)amino]-3-(3-phenylpyrrol-1-yl)butanoate

C36H36N4O5604.7 g/mol

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IDENTITY

结构与身份

标准 SMILES: O=C(CC(C(=O)NC1Cc2cn(c3ccccc23)CCOCCNC1=O)n1ccc(-c2ccccc2)c1)OCc1ccccc1
InChIKey: JFRBAVRMHGXPHK-UHFFFAOYSA-N
分子式: C36H36N4O5
平均分子量: 604.7 g/mol
单同位素质量: 604.26857026

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 104 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 9
重原子: 45
形式电荷: 0
复杂度: 982

ALIASES

名称与别名

共 13 条

SCHEMBL7610718JFRBAVRMHGXPHK-UHFFFAOYSA-NN-(8-oxo-4-oxa- 1,7-diaza-tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1, 7-diaza-tricyclo[9.6. 1.012, 17]octadeca-11(18), 12, 14, 16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo-[9.6.1.012,17]-octadeca-11(18), 12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo-[9.6.1.012,17]-octadeca-11(18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6. 1.012,17]octadeca-11 (18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6.1.012,17 ]octadeca-11(18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6.1.012,17]octadeca- 11(18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6.1.012,17]octadeca-11(18), 12,14,16-tetraen-9-yl)-3-(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-9-yl)-3(3-phenyl-1H-pyrrol-1-yl)succinamic acid benzyl estern-(8-oxo-4-oxa-1,7-diaza-tricyclo[9.6.1.012,17]octadeca-11(18),12,14,16-tetraen-9-yl)-3-(3-phenyl-1h-pyrrol-1-yl)succinamic acid benzyl esterN-(8-oxo4oxa-1,7-diaza-tricyclo-[9.6.1.012,17]-octadeca-11(18), 12,14,16-tetraen-9-yl)-3-(3 -phenyl-1H-pyrrol-1-yl)succinamic acid benzyl ester

REACTIONS