Chem
J-GLOBAL ID：200907054429392848
Nikkaji number：J2.423.374J
(1S)-1-Benzyl-5-methyl-4,6-dioxo-1,3aα,4,5,6,6aα-hexahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester
(1S)-1-ベンジル-5-メチル-4,6-ジオキソ-1,3aα,4,5,6,6aα-ヘキサヒドロピロロ[3,4-c]ピロール-1β-カルボン酸メチル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C16H16N2O4
Molecular formula furigana： C16-H16-N2-O4
Molecular weight： 300.314
InChI：
InChI=1S/C16H16N2O4/c1-18-13(19)11-9-17-16(15(21)22-2,12(11)14(18)20)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3/t11-,12+,16+/m1/s1
InChI key：
ZGJPRIRHBXSCHU-WQGACYEGSA-N
SMILES：
COC(=O)[C@@]1(Cc2ccccc2)N=C[C@@H]2[C@H]1C(=O)N(C)C2=O
Systematic name (3)：
- (1S)-1-ベンジル-5-メチル-4,6-ジオキソ-1,3aα,4,5,6,6aα-ヘキサヒドロピロロ[3,4-c]ピロール-1β-カルボン酸メチル
- メチル (1S,3aS,6aR)-1-ベンジル-5-メチル-4,6-ジオキソ-1H,3aH,4H,5H,6H,6aH-ピロロ[3,4-c]ピロール-1-カルボキシラート
- methyl (1S,3aS,6aR)-1-benzyl-5-methyl-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrrole-1-carboxylate
- (1S)-1-Benzyl-5-methyl-4,6-dioxo-1,3aα,4,5,6,6aα-hexahydropyrrolo[3,4-c]pyrrole-1β-carboxylic acid methyl ester
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