Mal-Exatecan
HIT219251679
sdf文件结构编辑类似物检索
HIT ID: HIT219251679
Cas No: 3028213-52-4
分子式: C34H33FN4O7
分子量: 628.657
常用名: Mal-Exatecan
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]hexanamide
IUPAC: 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0^{2,14}.0^{4,13}.0^{6,11}.0^{20,24}]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]hexanamide
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)CCCCCN6C(=O)C=CC6=O)c(c3Cn1c2=O)c45
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)CCCCCN6C(=O)C=CC6=O)c(c3Cn1c2=O)c45
InChI key: JEMWLPJRYDSDGD-HUBRWUETSA-N
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