Carboxyrhodamine 110-PEG4-DBCO
HIT214314798
sdf文件结构编辑类似物检索
HIT ID: HIT214314798
Cas No:
分子式: C50H49N5O10
分子量: 879.967
常用名: Carboxyrhodamine 110-PEG4-DBCO
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(6-amino-3-iminiumyl-3H-xanthen-9-yl)-5-({14-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-1-yl}carbamoyl)benzoate
IUPAC: 2-(6-amino-3-iminiumyl-3H-xanthen-9-yl)-5-({14-[(3-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-3-oxopropyl)carbamoyl]-3,6,9,12-tetraoxatetradecan-1-yl}carbamoyl)benzoate
SMILES: Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)c3ccc(=[NH2+])cc3oc2c1
SMILES: Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)c3ccc(=[NH2+])cc3oc2c1
InChI key: AYERTDQFRXJGCW-UHFFFAOYSA-N
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