Chem
J-GLOBAL ID：200907099990715366   Nikkaji number：J867.351I

4-Nitro-cyclo(L-Trp-L-Phe-)

4-ニトロ-シクロ(L-Trp-L-Phe-)
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： C20H18N3[N+]O3[O-]
Molecular formula furigana： C20-H18-N4-O4
Molecular weight： 378.388
InChI： InChI=1S/C20H18N4O4/c25-19-15(9-12-5-2-1-3-6-12)22-20(26)16(23-19)10-13-11-21-14-7-4-8-17(18(13)14)24(27)28/h1-8,11,15-16,21H,9-10H2,(H,22,26)(H,23,25)/t15-,16-/m0/s1
InChI key： NBRLIEDDTJSMAU-HOTGVXAUSA-N
SMILES： [O-][N+](=O)c1cccc2[nH]cc(C[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC3=O)c12
Systematic name  (4)：
  • (3S)-3α-ベンジル-6α-(4-ニトロ-1H-インドール-3-イルメチル)-2,5-ピペラジンジオン
  • 4-ニトロ-シクロ(L-Trp-L-Phe-)
  • (3S,6S)-3-ベンジル-6-[(4-ニトロ-1H-インドール-3-イル)メチル]ピペラジン-2,5-ジオン
  • (3S,6S)-3-benzyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Other name (2)：
  • (3S)-3α-Benzyl-6α-(4-nitro-1H-indol-3-ylmethyl)-2,5-piperazinedione
  • 4-Nitro-cyclo(L-Trp-L-Phe-)
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