Chem
J-GLOBAL ID:200907013920829214
Nikkaji number:J779.109G
Ac-L-Asp-L-Glu-L-Val-3-Formyl-βAla-OH
Ac-Asp-L-Glu-L-Val-3-ホルミル-βAla-OH
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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:
C20 H30 N4 O11
Molecular formula furigana:
C20-H30-N4-O11
Molecular weight:
502.477
InChI:
InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11?,12-,13-,17-/m0/s1
InChI key:
UMBVAPCONCILTL-QCDIVLGDSA-N
SMILES:
CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)C(=O)NC(CC(=O)O)C=O
Systematic name (6):
Ac-Asp-L-Glu-L-Val-3-ホルミル-βAla-OH
Ac-L-Asp-L-Glu-L-Val-(2-カルボキシ-1-ホルミルエチル)NH2
Ac-L-Asp-L-Glu-L-Val-3-CHO-βAla-OH
Ac-L-Asp-L-Glu-L-Val-3-ホルミル-βAla-OH
(4S)-4-[(2S)-3-カルボキシ-2-アセトアミドプロパンアミド]-4-{[(1S)-1-[(1-カルボキシ-3-オキソプロパン-2-イル)カルバモイル]-2-メチルプロピル]カルバモイル}ブタン酸
(4S)-4-[(2S)-3-carboxy-2-acetamidopropanamido]-4-{[(1S)-1-[(1-carboxy-3-oxopropan-2-yl)carbamoyl]-2-methylpropyl]carbamoyl}butanoic acid
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Other name (1):
Ac-L-Asp-L-Glu-L-Val-3-Formyl-βAla-OH
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