CY7-N3
HIT212672118
sdf文件结构编辑类似物检索
HIT ID: HIT212672118
Cas No:
分子式: C38H47N6O7S2
分子量: 763.95
常用名: CY7-N3
氢键受体数 (HBA): 0
氢键供体数 (HBD): 0
LogP:
IUPAC: 2-[(1E,3E,5E)-7-[(2Z)-1-{5-[(3-azidopropyl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1-(ethan-1-ylium-1-yl)-5-[(-lambda3-oxidanidylidene)(oxido)oxo-lambda6-sulfanyl]-3,3-dimethyl-3H-indol-1-ium
IUPAC: 2-[(1E,3E,5E)-7-[(2Z)-1-{5-[(3-azidopropyl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene]hepta-1,3,5-trien-1-yl]-1-(ethan-1-ylium-1-yl)-5-[(-lambda3-oxidanidylidene)(oxido)oxo-lambda6-sulfanyl]-3,3-dimethyl-3H-indol-1-ium
SMILES: C[CH+][N+]1=C(\C=C\C=C\C=C\C=C2/N(CCCCCC(=O)NCCCN=[N+]=[N-])c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=[O-] |c:2|
SMILES: C[CH+][N+]1=C(\C=C\C=C\C=C\C=C2/N(CCCCCC(=O)NCCCN=[N+]=[N-])c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=[O-] |c:2|
InChI key: LDPJQJOCOURIHH-UHFFFAOYSA-M
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