HIT ID: HIT212672173
Cas No: 112926-02-0
分子式: C47H51N3O22
分子量: 1009.924
常用名: Indo-1 AM
氢键受体数 (HBA): 14
氢键供体数 (HBD): 1
LogP: 3.65973
IUPAC: (acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[4-(6-{[(acetyloxy)methoxy]carbonyl}-1H-indol-2-yl)-2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-5-methylphenoxy}ethoxy)phenyl]amino)acetate
IUPAC: (acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[4-(6-{[(acetyloxy)methoxy]carbonyl}-1H-indol-2-yl)-2-(2-{2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]-5-methylphenoxy}ethoxy)phenyl]amino)acetate
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)-c1cc2ccc(cc2[nH]1)C(=O)OCOC(C)=O
SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)-c1cc2ccc(cc2[nH]1)C(=O)OCOC(C)=O
InChI key: CAWBRCOBJNWRLK-UHFFFAOYSA-N
