Chem
J-GLOBAL ID:200907068501534319
Nikkaji number:J1.870.331I
DEVD-AMC
L-Asp-L-Glu-L-Val-L-Asp-(4-メチル-2-オキソ-2H-1-ベンゾピラン-7-イル)NH2
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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:
C28 H35 N5 O12
Molecular formula furigana:
C28-H35-N5-O12
Molecular weight:
633.611
InChI:
InChI=1S/C28H35N5O12/c1-12(2)24(33-26(42)17(6-7-20(34)35)31-25(41)16(29)10-21(36)37)28(44)32-18(11-22(38)39)27(43)30-14-4-5-15-13(3)8-23(40)45-19(15)9-14/h4-5,8-9,12,16-18,24H,6-7,10-11,29H2,1-3H3,(H,30,43)(H,31,41)(H,32,44)(H,33,42)(H,34,35)(H,36,37)(H,38,39)/t16-,17-,18-,24-/m0/s1
InChI key:
QBRZOFRRJLWXGM-KOAQGZTJSA-N
SMILES:
CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
Systematic name (3):
L-Asp-L-Glu-L-Val-L-Asp-(4-メチル-2-オキソ-2H-1-ベンゾピラン-7-イル)NH2
(4S)-4-[(2S)-2-アミノ-3-カルボキシプロパンアミド]-4-{[(1S)-1-{[(1S)-2-カルボキシ-1-[(4-メチル-2-オキソ-2H-クロメン-7-イル)カルバモイル]エチル]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)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-2-carboxy-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
Other name (2):
L-Asp-L-Glu-L-Val-L-Asp-(4-Methyl-2-oxo-2H-1-benzopyran-7-yl)NH2
DEVD-AMC
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