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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NCC2=C(C(=CN2)CCC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NCC2=C(C(=CN2)CCC(=O)O)CC(=O)O

InChI

InChI=1S/C18H20N2O5/c21-16(8-12-4-2-1-3-5-12)20-11-15-14(9-18(24)25)13(10-19-15)6-7-17(22)23/h1-5,10,19H,6-9,11H2,(H,20,21)(H,22,23)(H,24,25)