Chem
J-GLOBAL ID:200907048798674857   Nikkaji number:J1.419.227A

Ac-L-Asp-D-Glu-L-Ile-L-Val-L-Pro-L-Nva-OH

Ac-L-Asp-D-Glu-L-Ile-L-Val-L-Pro-L-Nva-OH
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: C32H52N6O12
Molecular formula furigana: C32-H52-N6-O12
Molecular weight: 712.798
InChI: InChI=1S/C32H52N6O12/c1-7-10-20(32(49)50)35-29(46)22-11-9-14-38(22)31(48)25(16(3)4)36-30(47)26(17(5)8-2)37-27(44)19(12-13-23(40)41)34-28(45)21(15-24(42)43)33-18(6)39/h16-17,19-22,25-26H,7-15H2,1-6H3,(H,33,39)(H,34,45)(H,35,46)(H,36,47)(H,37,44)(H,40,41)(H,42,43)(H,49,50)/t17-,19+,20-,21-,22-,25-,26-/m0/s1
InChI key: FCXAWKCVXNUVKB-DSLKAZBPSA-N
SMILES: CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)[C@@H](C)CC)C(C)C)C(=O)O
Systematic name  (3):
  • Ac-L-Asp-D-Glu-L-Ile-L-Val-L-Pro-L-Nva-OH
  • (4R)-4-[(2S)-3-カルボキシ-2-アセトアミドプロパンアミド]-4-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-カルボキシブチル]カルバモイル}ピロリジン-1-イル]-3-メチル-1-オキソブタン-2-イル]カルバモイル}-2-メチルブチル]カルバモイル}ブタン酸
  • (4R)-4-[(2S)-3-carboxy-2-acetamidopropanamido]-4-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxybutyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
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