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Amastatin

AlkaPlorer ID: AK020701

Synonym: None

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

Structure

SMILES: CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C

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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

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InChIKey: QFAADIRHLBXJJS-ZAZJUGBXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Streptomyces sp. Streptomyces Streptomycetaceae Kitasatosporales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 474.5550000000003

TPSA？: 208.14999999999995

MolLogP？: -0.9535999999999938

Number of H-Donors: 7

Number of H-Acceptors: 7

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Aminopeptidase A Ki 8000.0 nM 10.1021/jm00035a014
Homo sapiens Aminopeptidase N Ki 200.0 nM 10.1021/jm00035a014
Homo sapiens Leucine aminopeptidase Ki 30.0 nM 10.1021/jm030795v
Homo sapiens Leucine aminopeptidase Ki 200.0 nM 10.1021/jm00370a001
Homo sapiens Leucine aminopeptidase Ki 220.0 nM 10.1021/jm00370a001
Homo sapiens Leucine aminopeptidase Ki 20000.0 nM 10.1021/jm00370a001
Rattus norvegicus Cystinyl aminopeptidase Ki 20.0 nM 10.1021/jm00126a039
Rattus norvegicus Cystinyl aminopeptidase Ki 220.0 nM 10.1021/jm00126a039
Sus scrofa Aminopeptidase N IC50 1100.0 nM 10.1021/jm00370a001
Sus scrofa Aminopeptidase N Ki 20.0 nM 10.1021/jm00370a001
Sus scrofa Aminopeptidase N Ki 2000.0 nM 10.1021/jm00370a001

Metabolism Information