Val-Leu

AlkaPlorer ID: AK161157

Synonym: None

IUPAC Name: (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid

Structure

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

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InChI: InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1

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InChIKey: XCTHZFGSVQBHBW-IUCAKERBSA-N

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Properties Information

Molecule Weight: 230.308

TPSA: 95.91

MolLogP: 1.4255

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Saccharomyces cerevisiae General amino-acid permease GAP1 Inhibition 15.0 % 10.1038/nchembio.132
None No relevant target LogP 2.07 None 10.1021/jm00393a031
None Unchecked Log 1/T 2.0 None 10.1021/jm00014a022
None Unchecked Log 1/T 2.0 None 10.1021/jm00393a031

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005898 CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O>>CC(C)C[C@H](N)C(=O)O enzymemap_64689
AKRT005899 CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O>>CC(C)[C@H](N)C(=O)O enzymemap_64689
AKRT005900 CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(N)=O>>CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O enzymemap_66631