Chem
J-GLOBAL ID:200907050713762544   Nikkaji number:J426.033C

(S)-2-[[(2R,4S,5S)-5-(tert-Butoxycarbonylamino)-2-benzyl-4-hydroxy-6-phenylhexanoyl]amino]-2-cyclohexylacetamide

(S)-2-[[(2R,4S,5S)-5-(tert-ブトキシカルボニルアミノ)-2-ベンジル-4-ヒドロキシ-6-フェニルヘキサノイル]アミノ]-2-シクロヘキシルアセトアミド
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: C32H45N3O5
Molecular formula furigana: C32-H45-N3-O5
Molecular weight: 551.728
InChI: InChI=1S/C32H45N3O5/c1-32(2,3)40-31(39)34-26(20-23-15-9-5-10-16-23)27(36)21-25(19-22-13-7-4-8-14-22)30(38)35-28(29(33)37)24-17-11-6-12-18-24/h4-5,7-10,13-16,24-28,36H,6,11-12,17-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,38)/t25-,26+,27+,28+/m1/s1
InChI key: QAANQHJXPHLYNG-UNFRKHOWSA-N
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(=O)N
Systematic name  (3):
  • (S)-2-[[(2R,4S,5S)-5-(tert-ブトキシカルボニルアミノ)-2-ベンジル-4-ヒドロキシ-6-フェニルヘキサノイル]アミノ]-2-シクロヘキシルアセトアミド
  • tert-ブチル N-[(2S,3S,5R)-5-ベンジル-5-{[(S)-カルバモイル(シクロヘキシル)メチル]カルバモイル}-3-ヒドロキシ-1-フェニルペンタン-2-イル]カルバマート
  • tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{[(S)-carbamoyl(cyclohexyl)methyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate
Other name (1):
  • (S)-2-[[(2R,4S,5S)-5-(tert-Butoxycarbonylamino)-2-benzyl-4-hydroxy-6-phenylhexanoyl]amino]-2-cyclohexylacetamide
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