3-naphthalen-2-yl-2-[2-oxidanylidene-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-naphthalen-2-yl-2-[2-oxidanylidene-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]propanoic acid Openeye Name: 2-[3-[3-(benzyloxycarbonylamino)propyl]-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 3-(2-naphthalenyl)-2-[2-oxo-3-[3-(phenylmethoxycarbonylamino)propyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-naphthalen-2-yl-2-[2-oxo-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]propanoic acid Traditional Name: 2-[3-[3-(benzyloxycarbonylamino)propyl]-2-keto-piperazino]-3-(2-naphthyl)propionic acid Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1)CCCNC(=O)OCC2=CC=CC=C2)C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(N1)CCCNC(=O)OCC2=CC=CC=C2)C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C28H31N3O5/c32-26-24(11-6-14-30-28(35)36-19-20-7-2-1-3-8-20)29-15-16-31(26)25(27(33)34)18-21-12-13-22-9-4-5-10-23(22)17-21/h1-5,7-10,12-13,17,24-25,29H,6,11,14-16,18-19H2,(H,30,35)(H,33,34)