2-[[1-[carboxymethyl(thiophen-3-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-[carboxymethyl(thiophen-3-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[2-[carboxymethyl(3-thienyl)amino]-1-methyl-2-oxo-ethyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-[carboxymethyl(3-thiophenyl)amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-[carboxymethyl(thiophen-3-yl)amino]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[2-[carboxymethyl(3-thienyl)amino]-2-keto-1-methyl-ethyl]amino]-4-phenyl-butyric acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC(=O)O)C1=CSC=C1)NC(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C(=O)N(CC(=O)O)C1=CSC=C1)NC(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22N2O5S/c1-13(18(24)21(11-17(22)23)15-9-10-27-12-15)20-16(19(25)26)8-7-14-5-3-2-4-6-14/h2-6,9-10,12-13,16,20H,7-8,11H2,1H3,(H,22,23)(H,25,26)