Cy5-DBCO
HIT219591421
sdf文件结构编辑类似物检索
HIT ID: HIT219591421
Cas No: 1564286-24-3
分子式: C52H56N4O11S3
分子量: 1009.22
常用名: Cy5-DBCO
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[5-(1-{5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium
IUPAC: 2-[5-(1-{5-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]pentyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3,3-dimethyl-5-sulfo-1-(3-sulfonatopropyl)-3H-indol-1-ium
SMILES: CC1(C)C(=CC=CC=CC2=[N+](CCCS([O-])(=O)=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)N(CCCCCC(=O)NCCC(=O)N2Cc3ccccc3C#Cc3ccccc23)c2ccc(cc12)S(O)(=O)=O
SMILES: CC1(C)C(=CC=CC=CC2=[N+](CCCS([O-])(=O)=O)c3ccc(cc3C2(C)C)S(O)(=O)=O)N(CCCCCC(=O)NCCC(=O)N2Cc3ccccc3C#Cc3ccccc23)c2ccc(cc12)S(O)(=O)=O
InChI key: LQHUKJFMCCLWEL-UHFFFAOYSA-N
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