HIT ID: HIT212668170
Cas No: 1802907-98-7
分子式: C29H39N3O14
分子量: 653.638
常用名: PC Alkyne-PEG4-NHS ester
氢键受体数 (HBA): 13
氢键供体数 (HBD): 1
LogP: 0.9917923
IUPAC: 2,5-dioxopyrrolidin-1-yl 1-(5-methoxy-2-nitro-4-{3-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamoyl]propoxy}phenyl)ethyl carbonate
IUPAC: 2,5-dioxopyrrolidin-1-yl 1-(5-methoxy-2-nitro-4-{3-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamoyl]propoxy}phenyl)ethyl carbonate
SMILES: COc1cc(C(C)OC(=O)ON2C(=O)CCC2=O)c(cc1OCCCC(=O)NCCOCCOCCOCCOCC#C)[N+]([O-])=O
SMILES: COc1cc(C(C)OC(=O)ON2C(=O)CCC2=O)c(cc1OCCCC(=O)NCCOCCOCCOCCOCC#C)[N+]([O-])=O
InChI key: AOWMPLACVFKCJJ-UHFFFAOYSA-N
