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

Systemtic Name: 3-methyl-2-[[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-oxo-2-(2-thienylmethylamino)ethyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-(2-thenylamino)ethyl]amino]-3-methyl-butyric acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)NCC1=CC=CS1

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)NCC1=CC=CS1

InChI

InChI=1S/C12H18N2O3S/c1-8(2)11(12(16)17)14-7-10(15)13-6-9-4-3-5-18-9/h3-5,8,11,14H,6-7H2,1-2H3,(H,13,15)(H,16,17)