2-[[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)NC1=C(C=CS1)C(=O)N

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)NC1=C(C=CS1)C(=O)N

InChI

InChI=1S/C12H17N3O4S/c1-6(2)9(12(18)19)14-5-8(16)15-11-7(10(13)17)3-4-20-11/h3-4,6,9,14H,5H2,1-2H3,(H2,13,17)(H,15,16)(H,18,19)