NHS-PEG4-(m-PEG4)3-ester
HIT212669137
sdf文件结构编辑类似物检索
HIT ID: HIT212669137
Cas No: 1333154-70-3
分子式: C60H110N6O28
分子量: 1363.554
常用名: NHS-PEG4-(m-PEG4)3-ester
氢键受体数 (HBA): 28
氢键供体数 (HBD): 5
LogP: -8.53
IUPAC: 2,5-dioxopyrrolidin-1-yl 4-[(14-{[1,3-bis({2-[(2,5,8,11-tetraoxatridecan-13-yl)carbamoyl]ethoxy})-2-({2-[(2,5,8,11-tetraoxatridecan-13-yl)carbamoyl]ethoxy}methyl)propan-2-yl]carbamoyl}-3,6,9,12-tetraoxatetradecan-1-yl)carbamoyl]butanoate
IUPAC: 2,5-dioxopyrrolidin-1-yl 4-[(14-{[1,3-bis({2-[(2,5,8,11-tetraoxatridecan-13-yl)carbamoyl]ethoxy})-2-({2-[(2,5,8,11-tetraoxatridecan-13-yl)carbamoyl]ethoxy}methyl)propan-2-yl]carbamoyl}-3,6,9,12-tetraoxatetradecan-1-yl)carbamoyl]butanoate
SMILES: COCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O
SMILES: COCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChI key: CPFQBAXMDMJPOZ-UHFFFAOYSA-N
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