(2RS,3RS)-2-[N-{(1RS,2RS,4E)-5-(2-benzoxazolyl)-1-methyl-2-(3,4-methylenedioxyphenyl)-4-pentenyl}-N-(2-naphthylmethyl)carbamoyl]-5-oxotetrahydrofuran-3-carboxylic Acid

HCID 19038612

基本情報

標準SMILES: CC(C(C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)C1OC(=O)CC1C(=O)O
InChIKey: DESRYXGONDVTMT-WUXMJOGZSA-N
分子式: C37H32N2O8
平均分子量: 632.7 g/mol

名称と識別子

優先名称: (2RS,3RS)-2-[N-{(1RS,2RS,4E)-5-(2-benzoxazolyl)-1-methyl-2-(3,4-methylenedioxyphenyl)-4-pentenyl}-N-(2-naphthylmethyl)carbamoyl]-5-oxotetrahydrofuran-3-carboxylic Acid
IUPAC: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)carbamoyl]-5-oxooxolane-3-carboxylic acid

名称と別名

SCHEMBL6263709DESRYXGONDVTMT-WUXMJOGZSA-N(2RS,3RS)-2-[N-{(1RS,2RS,4E)-5-(2-benzoxazolyl)-1-methyl-2-(3,4-methylenedioxyphenyl)-4-pentenyl}-N-(2-naphthylmethyl)carbamoyl]-5-oxotetrahydrofuran-3-carboxylic Acid

データベース識別子

PubChem CID: 19038612

物性

構造計算による物性

XLogP: 6.1
極性表面積: 128 Å²
水素結合供与体数: 1
水素結合受容体数: 9
回転可能結合数: 10
重原子数: 47
形式電荷: 0
複雑度: 1,160