Chem
J-GLOBAL ID:200907050711233544   Nikkaji number:J1.566.487H

Nα,Nα′,Nα′′-[1,3,5-Benzenetriyltris(2-oxoethane-1,2-diyl)]tris(L-tryptophan)

Nα,Nα′,Nα′′-[1,3,5-ベンゼントリイルトリス(2-オキソエタン-1,2-ジイル)]トリス(L-トリプトファン)
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: C45H42N6O9
Molecular formula furigana: C45-H42-N6-O9
Molecular weight: 810.864
InChI: InChI=1S/C45H42N6O9/c52-40(49-37(43(55)56)19-28-22-46-34-10-4-1-7-31(28)34)16-25-13-26(17-41(53)50-38(44(57)58)20-29-23-47-35-11-5-2-8-32(29)35)15-27(14-25)18-42(54)51-39(45(59)60)21-30-24-48-36-12-6-3-9-33(30)36/h1-15,22-24,37-39,46-48H,16-21H2,(H,49,52)(H,50,53)(H,51,54)(H,55,56)(H,57,58)(H,59,60)/t37-,38-,39-/m0/s1
InChI key: JRGHQWSOTVCLQW-IGMOWHQGSA-N
SMILES: OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1
Systematic name  (3):
  • Nα,Nα′,Nα′′-[1,3,5-ベンゼントリイルトリス(2-オキソエタン-1,2-ジイル)]トリス(L-トリプトファン)
  • (2S)-2-{2-[3,5-ビス({[(1S)-1-カルボキシ-2-(1H-インドール-3-イル)エチル]カルバモイル}メチル)フェニル]アセトアミド}-3-(1H-インドール-3-イル)プロパン酸
  • (2S)-2-{2-[3,5-bis({[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}methyl)phenyl]acetamido}-3-(1H-indol-3-yl)propanoic acid
Other name (1):
  • Nα,Nα′,Nα′′-[1,3,5-Benzenetriyltris(2-oxoethane-1,2-diyl)]tris(L-tryptophan)
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