3-[[1-(3-aminophenyl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[1-(3-aminophenyl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: 3-[[[1-(3-aminophenyl)-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-(3-aminophenyl)piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-[[1-(3-aminophenyl)isonipecotoyl]amino]-2-(benzyloxycarbonylamino)propionic acid Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N

Isomeric SMILES

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N

InChI

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