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

Systemtic Name: 2-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-13-17-9-5-6-10-18(17)20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)