Chem
J-GLOBAL ID：200907001658276987   Nikkaji number：J1.633.411A

(2S)-N-[(S)-α-Isopropyl-4-methylphenacyl]-2-(9H-fluorene-9-ylmethoxycarbonylamino)-4-methylvaleramide

(2S)-N-[(S)-α-イソプロピル-4-メチルフェナシル]-2-(9H-フルオレン-9-イルメトキシカルボニルアミノ)-4-メチルバレルアミド
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： C33H38N2O4
Molecular formula furigana： C33-H38-N2-O4
Molecular weight： 526.677
InChI： InChI=1S/C33H38N2O4/c1-20(2)18-29(32(37)35-30(21(3)4)31(36)23-16-14-22(5)15-17-23)34-33(38)39-19-28-26-12-8-6-10-24(26)25-11-7-9-13-27(25)28/h6-17,20-21,28-30H,18-19H2,1-5H3,(H,34,38)(H,35,37)/t29-,30-/m0/s1
InChI key： XQSJPTSPIKVNET-KYJUHHDHSA-N
SMILES： CC(C)C[C@H](NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)c1ccc(C)cc1
Systematic name  (3)：
  • (2S)-N-[(S)-α-イソプロピル-4-メチルフェナシル]-2-(9H-フルオレン-9-イルメトキシカルボニルアミノ)-4-メチルバレルアミド
  • (9H-フルオレン-9-イル)メチル N-[(1S)-3-メチル-1-{[(2S)-3-メチル-1-(4-メチルフェニル)-1-オキソブタン-2-イル]カルバモイル}ブチル]カルバマート
  • (9H-fluoren-9-yl)methyl N-[(1S)-3-methyl-1-{[(2S)-3-methyl-1-(4-methylphenyl)-1-oxobutan-2-yl]carbamoyl}butyl]carbamate
Other name (1)：
  • (2S)-N-[(S)-α-Isopropyl-4-methylphenacyl]-2-(9H-fluorene-9-ylmethoxycarbonylamino)-4-methylvaleramide
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