2-[[4-methyl-2-(3-oxidanylidenebutanethioylamino)pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[4-methyl-2-(3-oxidanylidenebutanethioylamino)pentanoyl]amino]ethanoic acid Openeye Name: 2-[[4-methyl-2-(3-oxobutanethioylamino)pentanoyl]amino]acetic acid CAS Name: 2-[[4-methyl-1-oxo-2-[(3-oxo-1-sulfanylidenebutyl)amino]pentyl]amino]acetic acid IUPAC Name: 2-[[4-methyl-2-(3-oxobutanethioylamino)pentanoyl]amino]acetic acid Traditional Name: 2-[[2-(3-ketobutanethioylamino)-4-methyl-pentanoyl]amino]acetic acid Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)O)NC(=S)CC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)O)NC(=S)CC(=O)C

InChI

InChI=1S/C12H20N2O4S/c1-7(2)4-9(12(18)13-6-11(16)17)14-10(19)5-8(3)15/h7,9H,4-6H2,1-3H3,(H,13,18)(H,14,19)(H,16,17)