3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]propanoic acid Openeye Name: 2-[3-[3-(benzyloxycarbonylamino)propyl]-4-(2-nitrophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 3-(2-naphthalenyl)-2-[4-(2-nitrophenyl)sulfonyl-2-oxo-3-[3-(phenylmethoxycarbonylamino)propyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-naphthalen-2-yl-2-[4-(2-nitrophenyl)sulfonyl-2-oxo-3-[3-(phenylmethoxycarbonylamino)propyl]piperazin-1-yl]propanoic acid Traditional Name: 2-[3-[3-(benzyloxycarbonylamino)propyl]-2-keto-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid Formula: C34H34N4O9S MolecularWeight: 674.72016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCCNC(=O)OCC3=CC=CC=C3)C(CC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(N1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCCNC(=O)OCC3=CC=CC=C3)C(CC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C34H34N4O9S/c39-32-29(14-8-18-35-34(42)47-23-24-9-2-1-3-10-24)37(48(45,46)31-15-7-6-13-28(31)38(43)44)20-19-36(32)30(33(40)41)22-25-16-17-26-11-4-5-12-27(26)21-25/h1-7,9-13,15-17,21,29-30H,8,14,18-20,22-23H2,(H,35,42)(H,40,41)