Chem
J-GLOBAL ID:200907002338931339   Nikkaji number:J2.045.895J

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

(2R,4S,5S)-N-イソブチル-2-アリル-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: C28H43N3O6
Molecular formula furigana: C28-H43-N3-O6
Molecular weight: 517.667
InChI: InChI=1S/C28H43N3O6/c1-6-10-21(27(35)29-17-19(4)5)15-24(32)22(14-20-11-8-7-9-12-20)30-26(34)16-23(28(36)37)31-25(33)13-18(2)3/h6-9,11-12,18-19,21-24,32H,1,10,13-17H2,2-5H3,(H,29,35)(H,30,34)(H,31,33)(H,36,37)/t21-,22+,23+,24+/m1/s1
InChI key: DOQUHVKTCAICOM-SBFWRKJZSA-N
SMILES: CC(C)CNC(=O)[C@H](CC=C)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-アリル-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-メチルプロピル)カルバモイル]-1-フェニル-5-(プロパ-2-エン-1-イル)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-methylpropyl)carbamoyl]-1-phenyl-5-(prop-2-en-1-yl)pentan-2-yl]carbamoyl}-2-(3-methylbutanamido)propanoic acid
Other name (1):
  • (2R,4S,5S)-N-Isobutyl-2-allyl-4-hydroxy-5-[N-(3-methylbutyryl)-L-βAsp-amino]-6-phenylhexanamide
Thsaurus map:

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