Chem
J-GLOBAL ID：200907076361315320   Nikkaji number：J1.859.899J

Ac-LEHD-CHO

Ac-LEHD-CHO
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： C23H34N6O9
Molecular formula furigana： C23-H34-N6-O9
Molecular weight： 538.558
InChI： InChI=1S/C23H34N6O9/c1-12(2)6-17(26-13(3)31)23(38)28-16(4-5-19(32)33)21(36)29-18(7-14-9-24-11-25-14)22(37)27-15(10-30)8-20(34)35/h9-12,15-18H,4-8H2,1-3H3,(H,24,25)(H,26,31)(H,27,37)(H,28,38)(H,29,36)(H,32,33)(H,34,35)/t15-,16-,17-,18-/m0/s1
InChI key： LRHHFDQCXBPQLY-XSLAGTTESA-N
SMILES： CC(C)C[C@H](NC(=O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C=O
Systematic name  (3)：
  • (S)-3-[(Ac-L-Leu-L-Glu-L-His-)アミノ]-4-オキソ酪酸
  • (4S)-4-{[(1S)-1-{[(2S)-1-カルボキシ-3-オキソプロパン-2-イル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}-4-[(2S)-2-アセトアミド-4-メチルペンタンアミド]ブタン酸
  • (4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2S)-2-acetamido-4-methylpentanamido]butanoic acid
Other name (2)：
  • (S)-3-[(Ac-L-Leu-L-Glu-L-His-)Amino]-4-oxobutyric acid
  • Ac-LEHD-CHO
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