Chem
J-GLOBAL ID:200907025350389817   Nikkaji number:J1.986.152J

3,3′-(4-Acetyl-1-cyclohexene-1,2-diyl)bis(N-acetyl-D-alanine methyl) ester

3,3′-(4-アセチル-1-シクロヘキセン-1,2-ジイル)ビス(N-アセチル-D-アラニンメチル)
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: C20H30N2O7
Molecular formula furigana: C20-H30-N2-O7
Molecular weight: 410.467
InChI: InChI=1S/C20H30N2O7/c1-11(23)14-6-7-15(9-17(19(26)28-4)21-12(2)24)16(8-14)10-18(20(27)29-5)22-13(3)25/h14,17-18H,6-10H2,1-5H3,(H,21,24)(H,22,25)/t14?,17-,18-/m1/s1
InChI key: LUUMAGQFKCJAHP-KNHHTTPFSA-N
SMILES: COC(=O)[C@@H](CC1=C(C[C@@H](NC(=O)C)C(=O)OC)CC(CC1)C(=O)C)NC(=O)C
Systematic name  (3):
  • 3,3′-(4-アセチル-1-シクロヘキセン-1,2-ジイル)ビス(N-アセチル-D-アラニンメチル)
  • メチル (2R)-3-{5-アセチル-2-[(2R)-2-アセトアミド-3-メトキシ-3-オキソプロピル]シクロヘキサ-1-エン-1-イル}-2-アセトアミドプロパノアート
  • methyl (2R)-3-{5-acetyl-2-[(2R)-2-acetamido-3-methoxy-3-oxopropyl]cyclohex-1-en-1-yl}-2-acetamidopropanoate
Other name (1):
  • 3,3′-(4-Acetyl-1-cyclohexene-1,2-diyl)bis(N-acetyl-D-alanine methyl) ester
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