Amastatin | |
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Molecular structure via molpic based on CDK |
Physical properties [] | |
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Molecular mass | 474.5 g/mol [1] |
Predicted LogP | -2 [1] |
Structural Identifiers [] | |
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Molecular formula | C21H38N4O8 [1] |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid [1] |
SMILES | CC(C)C[C@H]([C@@H](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)O)N [1] |
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 [1] |
InChIKey | QFAADIRHLBXJJS-ZAZJUGBXSA-N [1] |
Amastatin
Amastatin (also known as 3-amino-2-hydroxy-5-methylhexanoyl-L-valyl-L-valyl-L-aspartic acid, N-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid, Aspartic acid, N-(N-(N-(3-amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl)-L-valyl)-, (S-(R*,S*))-, N-((2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl)-L-valyl-L-valyl-L-aspartic acid, (2S)-2-(((2S)-2-(((2S)-2-(((2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl)amino)-3-methylbutanoyl)amino)-3-methylbutanoyl)amino)butanedioic acid, 3-amino-2-hydroxy-5-methylhexanoyl-Val-Val-Asp, Leu[1psi,CHOHCONH]ValValAsp, ((2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl)-L-valyl-L-valyl-L-aspartic acid, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-5-methyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid or Aspartic acid, N-((2S,3R)-3-amino-2-hydroxy-5-methyl-1-oxohexyl)-L-valyl-L-valyl-) is a
Chemistry
Stereochemistry []
Amastatin is a achiral mixture
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 439518, Amastatin. Accessed July 21, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/439518