Methyltetrazine-PEG24-NH-Boc
HIT212668014
sdf文件结构编辑类似物检索
HIT ID: HIT212668014
Cas No:
分子式: C62H113N5O26
分子量: 1344.595
常用名: Methyltetrazine-PEG24-NH-Boc
氢键受体数 (HBA): 29
氢键供体数 (HBD): 1
LogP: -1.1528904
IUPAC: tert-butyl N-{71-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69-tricosaoxahenheptacontan-1-yl}carbamate
IUPAC: tert-butyl N-{71-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69-tricosaoxahenheptacontan-1-yl}carbamate
SMILES: Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)cc1
SMILES: Cc1nnc(nn1)-c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)cc1
InChI key: LWOANXXOJMDCNB-UHFFFAOYSA-N
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