Chem
J-GLOBAL ID：200907037429714100   Nikkaji number：J842.759C

Ac-IETD-CHO

Ac-IETD-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： C21H34N4O10
Molecular formula furigana： C21-H34-N4-O10
Molecular weight： 502.521
InChI： InChI=1S/C21H34N4O10/c1-5-10(2)17(22-12(4)28)20(34)24-14(6-7-15(29)30)19(33)25-18(11(3)27)21(35)23-13(9-26)8-16(31)32/h9-11,13-14,17-18,27H,5-8H2,1-4H3,(H,22,28)(H,23,35)(H,24,34)(H,25,33)(H,29,30)(H,31,32)/t10-,11+,13-,14-,17-,18-/m0/s1
InChI key： AXTKTZHLZLOIIO-PBEPODTISA-N
SMILES： CC[C@H](C)[C@H](NC(=O)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C=O
Systematic name  (5)：
  • Ac-L-Ile-L-Glu-L-Thr-[(S)-3-ホルミル-βAla-]-OH
  • (S)-3-[(Ac-L-Ile-L-Glu-L-Thr-)アミノ]-4-オキソ酪酸
  • (S)-3-[(Ac-Ile-Glu-Thr-)アミノ]-4-オキソブタン酸
  • (4S)-4-{[(1S,2R)-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-ヒドロキシプロピル]カルバモイル}-4-[(2S,3S)-2-アセトアミド-3-メチルペンタンアミド]ブタン酸
  • (4S)-4-{[(1S,2R)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S,3S)-2-acetamido-3-methylpentanamido]butanoic acid
Other name (4)：
  • Ac-L-Ile-L-Glu-L-Thr-[(S)-3-Formyl-βAla-]-OH
  • (S)-3-[(Ac-L-Ile-L-Glu-L-Thr-)Amino]-4-oxobutyric acid
  • (S)-3-[(Ac-Ile-Glu-Thr-)Amino]-4-oxobutanoic acid
  • Ac-IETD-CHO
Thsaurus map：
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