BODIPY FL L-Cystine
HIT218847593
sdf文件结构编辑类似物检索
HIT ID: HIT218847593
Cas No: 1180490-57-6
分子式: C34H37B2F4N6O6S2
分子量: 787.44
常用名: BODIPY FL L-Cystine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: hydrogen 4-(2-{[(1R)-1-carboxylato-2-{[(2R)-2-carboxylato-2-(3-{2,2-difluoro-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uid-4-yl}propanamido)ethyl]disulfanyl}ethyl]carbamoyl}ethyl)-2,2-difluoro-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
IUPAC: hydrogen 4-(2-{[(1R)-1-carboxylato-2-{[(2R)-2-carboxylato-2-(3-{2,2-difluoro-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uid-4-yl}propanamido)ethyl]disulfanyl}ethyl]carbamoyl}ethyl)-2,2-difluoro-10,12-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
SMILES: [H+].CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCc3ccc4C=C5C(C)=CC(C)=[N+]5[B-](F)(F)n34)C([O-])=O)C([O-])=O)n1[B-]2(F)F
SMILES: [H+].CC1=CC(C)=[N+]2C1=Cc1ccc(CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCc3ccc4C=C5C(C)=CC(C)=[N+]5[B-](F)(F)n34)C([O-])=O)C([O-])=O)n1[B-]2(F)F
InChI key: IUOBNSXKYBKQEY-NSOVKSMOSA-M
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