Chem
J-GLOBAL ID:200907048366707746   Nikkaji number:J2.016.806D

(2R,4S)-N-[(3S)-3β-Hydroxychroman-4β-yl]-2-benzyl-4-hydroxy-5-oxo-5-[(4R)-4α-(3-methyl-2-pyridinylmethylcarbamoyl)-5,5-dimethylthiazolidine-3-yl]pentanamide

(2R,4S)-N-[(3S)-3β-ヒドロキシクロマン-4β-イル]-2-ベンジル-4-ヒドロキシ-5-オキソ-5-[(4R)-4α-(3-メチル-2-ピリジニルメチルカルバモイル)-5,5-ジメチルチアゾリジン-3-イル]ペンタンアミド
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: C34H40N4O6S
Molecular formula furigana: C34-H40-N4-O6-S
Molecular weight: 632.780
InChI: InChI=1S/C34H40N4O6S/c1-21-10-9-15-35-25(21)18-36-32(42)30-34(2,3)45-20-38(30)33(43)26(39)17-23(16-22-11-5-4-6-12-22)31(41)37-29-24-13-7-8-14-28(24)44-19-27(29)40/h4-15,23,26-27,29-30,39-40H,16-20H2,1-3H3,(H,36,42)(H,37,41)/t23-,26+,27-,29+,30-/m1/s1
InChI key: PHDPGJPLZABKFA-ZSTMXQQGSA-N
SMILES: Cc1cccnc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12
Systematic name  (3):
  • (2R,4S)-N-[(3S)-3β-ヒドロキシクロマン-4β-イル]-2-ベンジル-4-ヒドロキシ-5-オキソ-5-[(4R)-4α-(3-メチル-2-ピリジニルメチルカルバモイル)-5,5-ジメチルチアゾリジン-3-イル]ペンタンアミド
  • (4R)-3-[(2S,4R)-4-ベンジル-2-ヒドロキシ-4-{[(3S,4S)-3-ヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]カルバモイル}ブタノイル]-5,5-ジメチル-N-[(3-メチルピリジン-2-イル)メチル]-1,3-チアゾリジン-4-カルボキサミド
  • (4R)-3-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}butanoyl]-5,5-dimethyl-N-[(3-methylpyridin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
Other name (1):
  • (2R,4S)-N-[(3S)-3β-Hydroxychroman-4β-yl]-2-benzyl-4-hydroxy-5-oxo-5-[(4R)-4α-(3-methyl-2-pyridinylmethylcarbamoyl)-5,5-dimethylthiazolidine-3-yl]pentanamide
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