Chem
J-GLOBAL ID:200907000012845499   Nikkaji number:J2.045.897F

(2R,4S,5S)-N-Isobutyl-2-(2-hydroxyethyl)-4-hydroxy-5-[N-(3-methylbutyryl)-L-βAsp-amino]-6-phenylhexanamide

(2R,4S,5S)-N-イソブチル-2-(2-ヒドロキシエチル)-4-ヒドロキシ-5-[N-(3-メチルブチリル)-L-βAsp-アミノ]-6-フェニルヘキサンアミド
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: C27H43N3O7
Molecular formula furigana: C27-H43-N3-O7
Molecular weight: 521.655
InChI: InChI=1S/C27H43N3O7/c1-17(2)12-24(33)30-22(27(36)37)15-25(34)29-21(13-19-8-6-5-7-9-19)23(32)14-20(10-11-31)26(35)28-16-18(3)4/h5-9,17-18,20-23,31-32H,10-16H2,1-4H3,(H,28,35)(H,29,34)(H,30,33)(H,36,37)/t20-,21+,22+,23+/m1/s1
InChI key: BIQKMOUAVXIPRL-LDVJMBRRSA-N
SMILES: CC(C)CNC(=O)[C@H](CCO)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(=O)O
Systematic name  (3):
  • (2R,4S,5S)-N-イソブチル-2-(2-ヒドロキシエチル)-4-ヒドロキシ-5-[N-(3-メチルブチリル)-L-βAsp-アミノ]-6-フェニルヘキサンアミド
  • (2S)-3-{[(2S,3S,5R)-3-ヒドロキシ-5-(2-ヒドロキシエチル)-5-[(2-メチルプロピル)カルバモイル]-1-フェニルペンタン-2-イル]カルバモイル}-2-(3-メチルブタンアミド)プロパン酸
  • (2S)-3-{[(2S,3S,5R)-3-hydroxy-5-(2-hydroxyethyl)-5-[(2-methylpropyl)carbamoyl]-1-phenylpentan-2-yl]carbamoyl}-2-(3-methylbutanamido)propanoic acid
Other name (1):
  • (2R,4S,5S)-N-Isobutyl-2-(2-hydroxyethyl)-4-hydroxy-5-[N-(3-methylbutyryl)-L-βAsp-amino]-6-phenylhexanamide
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