HIT ID: HIT212669229
Cas No: 1228100-59-1
分子式: C33H38N6O7
分子量: 630.702
常用名: TAMRA-PEG3-Azide
氢键受体数 (HBA): 11
氢键供体数 (HBD): 1
LogP: 4.599821
IUPAC: 9-{4-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2-carboxylatophenyl}-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium
IUPAC: 9-{4-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-2-carboxylatophenyl}-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium
SMILES: CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCN=[N+]=[N-])c3ccc(cc3[o+]c2c1)N(C)C
SMILES: CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCN=[N+]=[N-])c3ccc(cc3[o+]c2c1)N(C)C
InChI key: YREJCORUQQJQHB-UHFFFAOYSA-N
