MC-GGFG-PAB-Exatecan
HIT218929686
sdf文件结构编辑类似物检索
HIT ID: HIT218929686
Cas No: 2928560-25-0
分子式: C57H58FN9O13
分子量: 1096.139
常用名: MC-GGFG-PAB-Exatecan
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (4-{2-[(2S)-2-(2-{2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]acetamido}acetamido)-3-phenylpropanamido]acetamido}phenyl)methyl 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]carbamate
IUPAC: (4-{2-[(2S)-2-(2-{2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]acetamido}acetamido)-3-phenylpropanamido]acetamido}phenyl)methyl 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]carbamate
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)OCc6ccc(NC(=O)CNC(=O)[C@H](Cc7ccccc7)NC(=O)CNC(=O)CNC(=O)CCCCCN7C(=O)C=CC7=O)cc6)c(c3Cn1c2=O)c45
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)OCc6ccc(NC(=O)CNC(=O)[C@H](Cc7ccccc7)NC(=O)CNC(=O)CNC(=O)CCCCCN7C(=O)C=CC7=O)cc6)c(c3Cn1c2=O)c45
InChI key: PRTVRZKOTSVIFH-OVMOYCAHSA-N
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