HIT ID: HIT212668177
Cas No: 2055736-28-0
分子式: C35H43N7O14
分子量: 785.764
常用名: PC Methyltetrazine-PEG4-NHS carbonate ester
常用名: PC Methyltetrazine-PEG4-NHS carbonate ester
氢键受体数 (HBA): 17
氢键供体数 (HBD): 1
LogP: 1.401865
IUPAC: 2,5-dioxopyrrolidin-1-yl 1-{5-methoxy-4-[3-({2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)propoxy]-2-nitrophenyl}ethyl carbonate
IUPAC: 2,5-dioxopyrrolidin-1-yl 1-{5-methoxy-4-[3-({2-[2-(2-{2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)propoxy]-2-nitrophenyl}ethyl carbonate
SMILES: COc1cc(C(C)OC(=O)ON2C(=O)CCC2=O)c(cc1OCCCC(=O)NCCOCCOCCOCCOc1ccc(cc1)-c1nnc(C)nn1)[N+]([O-])=O
SMILES: COc1cc(C(C)OC(=O)ON2C(=O)CCC2=O)c(cc1OCCCC(=O)NCCOCCOCCOCCOc1ccc(cc1)-c1nnc(C)nn1)[N+]([O-])=O
InChI key: FYXJZLYXHCHOII-UHFFFAOYSA-N
