Fluorescein Biotin Azide
HIT219586430
sdf文件结构编辑类似物检索
HIT ID: HIT219586430
Cas No:
分子式: C53H67F2N9O16S
分子量: 1156.22
常用名: Fluorescein Biotin Azide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: [9-(4-{[2-({2-[(2-{2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]ethyl}(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamoyl)ethyl]carbamoyl}-2-carboxylatophenyl)-2,7-difluoro-6-hydroxy-3H-xanthen-3-ylidene]oxidanium
IUPAC: [9-(4-{[2-({2-[(2-{2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]ethyl}(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamoyl)ethyl]carbamoyl}-2-carboxylatophenyl)-2,7-difluoro-6-hydroxy-3H-xanthen-3-ylidene]oxidanium
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCNC(=O)CCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)CCNC(=O)c3ccc(c(c3)C([O-])=O)-c3c4cc(F)c(O)cc4oc4cc(=[OH+])c(F)cc34)[C@@]1([H])NC(=O)N2
SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCNC(=O)CCN(CCOCCOCCOCCN=[N+]=[N-])C(=O)CCNC(=O)c3ccc(c(c3)C([O-])=O)-c3c4cc(F)c(O)cc4oc4cc(=[OH+])c(F)cc34)[C@@]1([H])NC(=O)N2
InChI key: AMGNJUQBIKCBBK-RDUYQTCTSA-N
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