Chem
J-GLOBAL ID：200907097568936322   Nikkaji number：J18.575B

Amastatin

アマスタチン
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： C21H38N4O8
Molecular formula furigana： C21-H38-N4-O8
Molecular weight： 474.555
InChI： InChI=1S/C21H38N4O8/c1-9(2)7-12(22)17(28)20(31)25-16(11(5)6)19(30)24-15(10(3)4)18(29)23-13(21(32)33)8-14(26)27/h9-13,15-17,28H,7-8,22H2,1-6H3,(H,23,29)(H,24,30)(H,25,31)(H,26,27)(H,32,33)/t12-,13+,15+,16+,17+/m1/s1
InChI key： QFAADIRHLBXJJS-ZAZJUGBXSA-N
SMILES： CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O
Systematic name  (4)：
  • N-[N-[N-[(2S,3R)-3-アミノ-2-ヒドロキシ-5-メチル-1-オキソヘキシル]-L-バリル]-L-バリル]-L-アスパラギン酸
  • N-[(2S,3R)-3-アミノ-2-ヒドロキシ-5-メチルヘキサノイル]-L-Val-L-Val-L-Asp-OH
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-3-アミノ-2-ヒドロキシ-5-メチルヘキサンアミド]-3-メチルブタンアミド]-3-メチルブタンアミド]ブタン二酸
  • (2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanamido]-3-methylbutanamido]-3-methylbutanamido]butanedioic acid
Other name (4)：
  • アマスタチン
  • Amastatin
  • N-[N-[N-[(2S,3R)-3-Amino-2-hydroxy-5-methyl-1-oxohexyl]-L-valyl]-L-valyl]-L-aspartic acid
  • N-[(2S,3R)-3-Amino-2-hydroxy-5-methylhexanoyl]-L-Val-L-Val-L-Asp-OH
CAS registry number： 67655-94-1
KEGG COMPOUND： C01552
Application (1)：
proteinase inhibitor
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