NH2-methylpropanamide-Exatecan TFA
HIT217583191
sdf文件结构编辑类似物检索
HIT ID: HIT217583191
Cas No: 1817857-35-4
分子式: C30H30F4N4O7
分子量: 634.585
常用名: NH2-methylpropanamide-Exatecan TFA
常用名: NH2-methylpropanamide-Exatecan TFA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-3-amino-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]-2-methylpropanamide; trifluoroacetic acid
IUPAC: (2S)-3-amino-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]-2-methylpropanamide; trifluoroacetic acid
SMILES: OC(=O)C(F)(F)F.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)[C@@H](C)CN)c(c3Cn1c2=O)c45
SMILES: OC(=O)C(F)(F)F.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)[C@@H](C)CN)c(c3Cn1c2=O)c45
InChI key: MSMQTDLIKIFXGT-WXVOAYBSSA-N
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