Chem
J-GLOBAL ID：200907050139100155
Nikkaji number：J488.597J
N-(3,5-Dinitrobenzoyl)-L-Ala-L-Val-OMe
N-(3,5-ジニトロベンゾイル)-L-Ala-L-Val-OMe
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： C16H20N2[N+]2O6[O-]2
Molecular formula furigana： C16-H20-N4-O8
Molecular weight： 396.356
InChI：
InChI=1S/C16H20N4O8/c1-8(2)13(16(23)28-4)18-14(21)9(3)17-15(22)10-5-11(19(24)25)7-12(6-10)20(26)27/h5-9,13H,1-4H3,(H,17,22)(H,18,21)/t9-,13-/m0/s1
InChI key：
GJPZZILIKLZXAH-ZANVPECISA-N
SMILES：
COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C(C)C
Systematic name (3)：
- N-(3,5-ジニトロベンゾイル)-L-Ala-L-Val-OMe
- メチル (2S)-2-[(2S)-2-[(3,5-ジニトロフェニル)ホルムアミド]プロパンアミド]-3-メチルブタノアート
- methyl (2S)-2-[(2S)-2-[(3,5-dinitrophenyl)formamido]propanamido]-3-methylbutanoate
- N-(3,5-Dinitrobenzoyl)-L-Ala-L-Val-OMe
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