3-[4-(carboxymethyl)-5-[methyl(2-phenylethanoyl)amino]-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[4-(carboxymethyl)-5-[methyl(2-phenylethanoyl)amino]-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[4-(carboxymethyl)-5-[methyl-(2-phenylacetyl)amino]-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[4-(carboxymethyl)-5-[methyl-(1-oxo-2-phenylethyl)amino]-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[4-(carboxymethyl)-5-[methyl-(2-phenylacetyl)amino]-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[4-(carboxymethyl)-5-[methyl-(2-phenylacetyl)amino]-1H-pyrrol-3-yl]propionic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=CN1)CCC(=O)O)CC(=O)O)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CN(C1=C(C(=CN1)CCC(=O)O)CC(=O)O)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O5/c1-20(15(21)9-12-5-3-2-4-6-12)18-14(10-17(24)25)13(11-19-18)7-8-16(22)23/h2-6,11,19H,7-10H2,1H3,(H,22,23)(H,24,25)