2-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,3-dihydroisoindole-1-carboxylic acid

Systemtic Name: 2-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-1,3-dihydroisoindole-1-carboxylic acid Openeye Name: 2-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]isoindoline-1-carboxylic acid CAS Name: 2-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-1,3-dihydroisoindole-1-carboxylic acid IUPAC Name: 2-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-1,3-dihydroisoindole-1-carboxylic acid Traditional Name: 2-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]isoindoline-1-carboxylic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2=CC=CC=C2C1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(=O)N1CC2=CC=CC=C2C1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N2O5/c1-14(23-18(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-13-16-9-5-6-10-17(16)19(24)22(28)29/h2-10,14,18-19,23H,11-13H2,1H3,(H,26,27)(H,28,29)