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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(NC(=O)C1CCN(CC1)C2=CC(=CC=C2)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)(NC(=O)C1CCN(CC1)C2=CC(=CC=C2)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O5/c1-23(21(29)30,26-22(31)32-15-16-6-3-2-4-7-16)25-20(28)17-10-12-27(13-11-17)19-9-5-8-18(24)14-19/h2-9,14,17H,10-13,15,24H2,1H3,(H,25,28)(H,26,31)(H,29,30)