3-methyl-2-[[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-oxo-2-[1-(2-thienyl)ethylamino]ethyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-[1-(2-thienyl)ethylamino]ethyl]amino]-3-methyl-butyric acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)NC(C)C1=CC=CS1

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)NC(C)C1=CC=CS1

InChI

InChI=1S/C13H20N2O3S/c1-8(2)12(13(17)18)14-7-11(16)15-9(3)10-5-4-6-19-10/h4-6,8-9,12,14H,7H2,1-3H3,(H,15,16)(H,17,18)