Chem
J-GLOBAL ID:201207097215598305   Nikkaji number:J3.091.118K

N-[(1S,3S,4S)-1-Isobutyl-3-hydroxy-4-[(2,6-dimethylphenoxy)acetylamino]-5-phenylpentyl]-4-aminobenzamide

N-[(1S,3S,4S)-1-イソブチル-3-ヒドロキシ-4-[(2,6-ジメチルフェノキシ)アセチルアミノ]-5-フェニルペンチル]-4-アミノベンズアミド
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: C32H41N3O4
Molecular formula furigana: C32-H41-N3-O4
Molecular weight: 531.697
InChI: InChI=1S/C32H41N3O4/c1-21(2)17-27(34-32(38)25-13-15-26(33)16-14-25)19-29(36)28(18-24-11-6-5-7-12-24)35-30(37)20-39-31-22(3)9-8-10-23(31)4/h5-16,21,27-29,36H,17-20,33H2,1-4H3,(H,34,38)(H,35,37)/t27-,28-,29-/m0/s1
InChI key: APJAEXGNDLFGPD-AWCRTANDSA-N
SMILES: CC(C)C[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)NC(=O)c1ccc(N)cc1
Systematic name  (3):
  • N-[(1S,3S,4S)-1-イソブチル-3-ヒドロキシ-4-[(2,6-ジメチルフェノキシ)アセチルアミノ]-5-フェニルペンチル]-4-アミノベンズアミド
  • N-[(2S,3S,5S)-5-[(4-アミノフェニル)ホルムアミド]-3-ヒドロキシ-7-メチル-1-フェニルオクタン-2-イル]-2-(2,6-ジメチルフェノキシ)アセトアミド
  • N-[(2S,3S,5S)-5-[(4-aminophenyl)formamido]-3-hydroxy-7-methyl-1-phenyloctan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
Other name (1):
  • N-[(1S,3S,4S)-1-Isobutyl-3-hydroxy-4-[(2,6-dimethylphenoxy)acetylamino]-5-phenylpentyl]-4-aminobenzamide
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