Chem
J-GLOBAL ID:200907001861644444   Nikkaji number:J760.542K

N,3,3-Trimethyl-L-Ser-2-cyclohexyl-D-Lac-N-methyl-L-Val-OBzl

N,3,3-トリメチル-L-Ser-2-シクロヘキシル-D-Lac-N-メチル-L-Val-OBzl
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: C28H44N2O6
Molecular formula furigana: C28-H44-N2-O6
Molecular weight: 504.668
InChI: InChI=1S/C28H44N2O6/c1-19(2)22(24(31)35-18-20-14-10-8-11-15-20)30(7)26(33)28(5,21-16-12-9-13-17-21)36-25(32)23(29-6)27(3,4)34/h8,10-11,14-15,19,21-23,29,34H,9,12-13,16-18H2,1-7H3/t22-,23+,28-/m0/s1
InChI key: IIFMJCSCLDCMCC-JWZKTCGFSA-N
SMILES: CN[C@H](C(=O)O[C@@](C)(C1CCCCC1)C(=O)N(C)[C@@H](C(C)C)C(=O)OCc1ccccc1)C(C)(C)O
Systematic name  (3):
  • N,3,3-トリメチル-L-Ser-2-シクロヘキシル-D-Lac-N-メチル-L-Val-OBzl
  • (1S)-1-{[(2S)-1-(ベンジルオキシ)-3-メチル-1-オキソブタン-2-イル](メチル)カルバモイル}-1-シクロヘキシルエチル (2S)-3-ヒドロキシ-3-メチル-2-(メチルアミノ)ブタノアート
  • (1S)-1-{[(2S)-1-(benzyloxy)-3-methyl-1-oxobutan-2-yl](methyl)carbamoyl}-1-cyclohexylethyl (2S)-3-hydroxy-3-methyl-2-(methylamino)butanoate
Other name (1):
  • N,3,3-Trimethyl-L-Ser-2-cyclohexyl-D-Lac-N-methyl-L-Val-OBzl
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