4-[[1-(3-aminophenyl)piperidin-4-yl]amino]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[[1-(3-aminophenyl)piperidin-4-yl]amino]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 4-[[1-(3-aminophenyl)-4-piperidyl]amino]-2-(benzyloxycarbonylamino)-4-oxo-butanoic acid CAS Name: 4-[[1-(3-aminophenyl)-4-piperidinyl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[[1-(3-aminophenyl)piperidin-4-yl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 4-[[1-(3-aminophenyl)-4-piperidyl]amino]-2-(benzyloxycarbonylamino)-4-keto-butyric acid Formula: C23H28N4O5 MolecularWeight: 440.49222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N

Isomeric SMILES

C1CN(CCC1NC(=O)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N

InChI

InChI=1S/C23H28N4O5/c24-17-7-4-8-19(13-17)27-11-9-18(10-12-27)25-21(28)14-20(22(29)30)26-23(31)32-15-16-5-2-1-3-6-16/h1-8,13,18,20H,9-12,14-15,24H2,(H,25,28)(H,26,31)(H,29,30)