MC-SN38
HIT214322589
sdf文件结构编辑类似物检索
HIT ID: HIT214322589
Cas No: 1473403-87-0
分子式: C32H31N3O8
分子量: 585.613
常用名: MC-SN38
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoate
IUPAC: (19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoate
SMILES: CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)CCCCCN4C(=O)C=CC4=O)c3=O)-c2nc2ccc(O)cc12 |c:29|
SMILES: CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)CCCCCN4C(=O)C=CC4=O)c3=O)-c2nc2ccc(O)cc12 |c:29|
InChI key: ACRMADURFCYBAU-YTTGMZPUSA-N
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