Chem
J-GLOBAL ID:200907033733998232   Nikkaji number:J2.235.753K

N-Butyryl-N-[1-(isopropylcarbamoyl)-3-phenylpropyl]-4-nitro-L-phenylalaninamide

N-ブチリル-N-[1-(イソプロピルカルバモイル)-3-フェニルプロピル]-4-ニトロ-L-フェニルアラニンアミド
Substance type:
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
Molecular formula: C26H34N3[N+]O4[O-]
Molecular formula furigana: C26-H34-N4-O5
Molecular weight: 482.581
InChI: InChI=1S/C26H34N4O5/c1-4-8-24(31)29(26(33)22(27)17-20-11-14-21(15-12-20)30(34)35)23(25(32)28-18(2)3)16-13-19-9-6-5-7-10-19/h5-7,9-12,14-15,18,22-23H,4,8,13,16-17,27H2,1-3H3,(H,28,32)/t22-,23?/m0/s1
InChI key: DMAANYAIDPEIHG-NQCNTLBGSA-N
SMILES: CCCC(=O)N(C(CCc1ccccc1)C(=O)NC(C)C)C(=O)[C@@H](N)Cc1ccc(cc1)[N+](=O)[O-]
Systematic name  (3):
  • N-ブチリル-N-[1-(イソプロピルカルバモイル)-3-フェニルプロピル]-4-ニトロ-L-フェニルアラニンアミド
  • 2-[(2S)-2-アミノ-N-ブタノイル-3-(4-ニトロフェニル)プロパンアミド]-4-フェニル-N-(プロパン-2-イル)ブタンアミド
  • 2-[(2S)-2-amino-N-butanoyl-3-(4-nitrophenyl)propanamido]-4-phenyl-N-(propan-2-yl)butanamide
Other name (1):
  • N-Butyryl-N-[1-(isopropylcarbamoyl)-3-phenylpropyl]-4-nitro-L-phenylalaninamide
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