Chem
J-GLOBAL ID:200907050853012081   Nikkaji number:J1.022.403I

N-(3-Chloro-4-hydroxybenzoyl)-L-Val-L-Phe-L-Met-OH

N-(3-クロロ-4-ヒドロキシベンゾイル)-L-Val-L-Phe-L-Met-OH
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: C26H32ClN3O6S
Molecular formula furigana: C26-H32-CL-N3-O6-S
Molecular weight: 550.070
InChI: InChI=1S/C26H32ClN3O6S/c1-15(2)22(30-23(32)17-9-10-21(31)18(27)14-17)25(34)29-20(13-16-7-5-4-6-8-16)24(33)28-19(26(35)36)11-12-37-3/h4-10,14-15,19-20,22,31H,11-13H2,1-3H3,(H,28,33)(H,29,34)(H,30,32)(H,35,36)/t19-,20-,22-/m0/s1
InChI key: BKAWPQLTIBZWPO-ONTIZHBOSA-N
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(C)C)C(=O)O
Systematic name  (3):
  • N-(3-クロロ-4-ヒドロキシベンゾイル)-L-Val-L-Phe-L-Met-OH
  • (2S)-2-[(2S)-2-[(2S)-2-[(3-クロロ-4-ヒドロキシフェニル)ホルムアミド]-3-メチルブタンアミド]-3-フェニルプロパンアミド]-4-(メチルスルファニル)ブタン酸
  • (2S)-2-[(2S)-2-[(2S)-2-[(3-chloro-4-hydroxyphenyl)formamido]-3-methylbutanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid
Other name (1):
  • N-(3-Chloro-4-hydroxybenzoyl)-L-Val-L-Phe-L-Met-OH
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