3-[carboxymethyl-[4-(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl)phenyl]amino]butanoic acid

Systemtic Name: 3-[carboxymethyl-[4-(1-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl)phenyl]amino]butanoic acid Openeye Name: 3-[N-(carboxymethyl)-4-(1-methyl-5-oxo-2-thioxo-imidazolidin-4-yl)anilino]butanoic acid CAS Name: 3-[N-(carboxymethyl)-4-(1-methyl-5-oxo-2-sulfanylidene-4-imidazolidinyl)anilino]butanoic acid IUPAC Name: 3-[N-(carboxymethyl)-4-(1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)anilino]butanoic acid Traditional Name: 3-[N-(carboxymethyl)-4-(5-keto-1-methyl-2-thioxo-imidazolidin-4-yl)anilino]butyric acid Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N(CC(=O)O)C1=CC=C(C=C1)C2C(=O)N(C(=S)N2)C

Isomeric SMILES

CC(CC(=O)O)N(CC(=O)O)C1=CC=C(C=C1)C2C(=O)N(C(=S)N2)C

InChI

InChI=1S/C16H19N3O5S/c1-9(7-12(20)21)19(8-13(22)23)11-5-3-10(4-6-11)14-15(24)18(2)16(25)17-14/h3-6,9,14H,7-8H2,1-2H3,(H,17,25)(H,20,21)(H,22,23)