HIT ID: HIT212669228
Cas No: 1797415-74-7
分子式: C114H158N22O28S2
分子量: 2348.76
常用名: TAMRA-Azide-PEG-biotin
氢键受体数 (HBA): 18
氢键供体数 (HBD): 5
LogP: 2.7863328
IUPAC: 9-[4-({2-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)(2-{[2-(2-{2-[2-(5-{2-oxo-hexahydro-1H-thieno[2,3-d]imidazol-5-yl}pentanamido)ethoxy]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)carbamoyl]ethyl}carbamoyl)-2-carboxylatophenyl]-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium; 9-[5-({2-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)(2-{[2-(2-{2-[2-(5-{2-oxo-hexahydro-1H-thieno[2,3-d]imidazol-5-yl}pentanamido)ethoxy]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)carbamoyl]ethyl}carbamoyl)-2-carboxylatophenyl]-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium
IUPAC: 9-[4-({2-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)(2-{[2-(2-{2-[2-(5-{2-oxo-hexahydro-1H-thieno[2,3-d]imidazol-5-yl}pentanamido)ethoxy]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)carbamoyl]ethyl}carbamoyl)-2-carboxylatophenyl]-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium; 9-[5-({2-[(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)(2-{[2-(2-{2-[2-(5-{2-oxo-hexahydro-1H-thieno[2,3-d]imidazol-5-yl}pentanamido)ethoxy]ethoxy}ethoxy)ethyl]carbamoyl}ethyl)carbamoyl]ethyl}carbamoyl)-2-carboxylatophenyl]-3,6-bis(dimethylamino)-10lambda4-xanthen-10-ylium
SMILES: CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC3CC4NC(=O)NC4S3)c3ccc(cc3[o+]c2c1)N(C)C.CN(C)c1ccc2c(-c3cc(ccc3C([O-])=O)C(=O)NCCC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC3CC4NC(=O)NC4S3)c3ccc(cc3[o+]c2c1)N(C)C
SMILES: CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC3CC4NC(=O)NC4S3)c3ccc(cc3[o+]c2c1)N(C)C.CN(C)c1ccc2c(-c3cc(ccc3C([O-])=O)C(=O)NCCC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCC(=O)NCCOCCOCCOCCNC(=O)CCCCC3CC4NC(=O)NC4S3)c3ccc(cc3[o+]c2c1)N(C)C
InChI key: OLNZJSRKGRJBHG-UHFFFAOYSA-N