(R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester (HCID 53762937)

基本情報

標準SMILES: COC(=O)c1c(C)c(OC)cc(O)c1CSC[C@H](Nc1nc(C)co1)c1nc(C)no1
InChIKey: DJFDTTWZWMAUAY-AWEZNQCLSA-N
分子式: C20H24N4O6S
平均分子量: 448.5 g/mol

名称と識別子

優先名称: (R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester
IUPAC: methyl 5-hydroxy-3-methoxy-2-methyl-6-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(4-methyl-1,3-oxazol-2-yl)amino]ethyl]sulfanylmethyl]benzoate

名称と別名

SCHEMBL8869668DJFDTTWZWMAUAY-AWEZNQCLSA-N(R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol -5-yl)-2-(4-methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester(R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4- methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester(R)-3-hydroxy-5-methoxy-6-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-methyl-oxazol-2-ylamino)-ethylsulfanylmethyl]-benzoic acid methyl ester

データベース識別子

PubChem CID: 53762937

物性

構造計算による物性

XLogP: 3.2
極性表面積: 158 Å²
水素結合供与体数: 2
水素結合受容体数: 11
回転可能結合数: 10
重原子数: 31
形式電荷: 0
複雑度: 590

化合物ノート

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