Chem
J-GLOBAL ID:200907084010359456   Nikkaji number:J794.245A

Phebestin

フェベスチン
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: C24H31N3O5
Molecular formula furigana: C24-H31-N3-O5
Molecular weight: 441.528
InChI: InChI=1S/C24H31N3O5/c1-15(2)20(22(29)26-19(24(31)32)14-17-11-7-4-8-12-17)27-23(30)21(28)18(25)13-16-9-5-3-6-10-16/h3-12,15,18-21,28H,13-14,25H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)/t18-,19+,20+,21+/m1/s1
InChI key: GGMURINELPSPEF-ANULTFPQSA-N
SMILES: CC(C)[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Systematic name  (3):
  • N-[N-[(2S,3R)-3-アミノ-2-ヒドロキシ-4-フェニルブタノイル]-L-バリル]-L-フェニルアラニン
  • (2S)-2-[(2S)-2-[(2S,3R)-3-アミノ-2-ヒドロキシ-4-フェニルブタンアミド]-3-メチルブタンアミド]-3-フェニルプロパン酸
  • (2S)-2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-3-methylbutanamido]-3-phenylpropanoic acid
Other name (3):
  • フェベスチン
  • Phebestin
  • N-[N-[(2S,3R)-3-Amino-2-hydroxy-4-phenylbutanoyl]-L-valyl]-L-phenylalanine
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