Methyltetrazine-PEG13-NHS ester
HIT212668013
sdf文件结构编辑类似物检索
HIT ID: HIT212668013
Cas No:
分子式: C40H63N5O17
分子量: 885.962
常用名: Methyltetrazine-PEG13-NHS ester
氢键受体数 (HBA): 20
氢键供体数 (HBD): 0
LogP: -1.3297497
IUPAC: 2,5-dioxopyrrolidin-1-yl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate
IUPAC: 2,5-dioxopyrrolidin-1-yl 1-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxanonatriacontan-39-oate
SMILES: Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)cc1
SMILES: Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)cc1
InChI key: QLJIFIORGODLBI-UHFFFAOYSA-N
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