CB07-Exatecan
HIT218849255
sdf文件结构编辑类似物检索
HIT ID: HIT218849255
Cas No: 2879247-31-9
分子式: C71H94FN11O22
分子量: 1472.586
常用名: CB07-Exatecan
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[(2S)-2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]-4-(2,5,8,11,14,17,20,23-octaoxahexacosan-26-amido)butanamido]-3-methylbutanamido]pentanamido]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-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[(2S)-2-[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido]-4-(2,5,8,11,14,17,20,23-octaoxahexacosan-26-amido)butanamido]-3-methylbutanamido]pentanamido]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)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CN7C(=O)C=CC7=O)C(C)C)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)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CN7C(=O)C=CC7=O)C(C)C)cc6)c(c3Cn1c2=O)c45
InChI key: DUVHBLDGNYMCIH-HWPPBYDQSA-N
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