Chem
J-GLOBAL ID：200907052055268223   Nikkaji number：J979.198A

Ac-L-Asp-L-Glu-L-Met-L-Glu-L-Glu-L-Cys-OH

Ac-L-Asp-L-Glu-L-Met-L-Glu-L-Glu-L-Cys-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： C29H44N6O16S2
Molecular formula furigana： C29-H44-N6-O16-S2
Molecular weight： 796.820
InChI： InChI=1S/C29H44N6O16S2/c1-13(36)30-18(11-23(43)44)28(49)33-15(4-7-21(39)40)25(46)34-17(9-10-53-2)27(48)32-14(3-6-20(37)38)24(45)31-16(5-8-22(41)42)26(47)35-19(12-52)29(50)51/h14-19,52H,3-12H2,1-2H3,(H,30,36)(H,31,45)(H,32,48)(H,33,49)(H,34,46)(H,35,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,50,51)/t14-,15-,16-,17-,18-,19-/m0/s1
InChI key： VGFHUYLCQHZNFZ-DYKIIFRCSA-N
SMILES： CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O
Systematic name  (3)：
  • Ac-L-Asp-L-Glu-L-Met-L-Glu-L-Glu-L-Cys-OH
  • (4S)-4-{[(1S)-1-{[(1S)-3-カルボキシ-1-{[(1S)-3-カルボキシ-1-{[(1R)-1-カルボキシ-2-スルファニルエチル]カルバモイル}プロピル]カルバモイル}プロピル]カルバモイル}-3-(メチルスルファニル)プロピル]カルバモイル}-4-[(2S)-3-カルボキシ-2-アセトアミドプロパンアミド]ブタン酸
  • (4S)-4-{[(1S)-1-{[(1S)-3-carboxy-1-{[(1S)-3-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}propyl]carbamoyl}propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-4-[(2S)-3-carboxy-2-acetamidopropanamido]butanoic acid
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