2-[3-(1-azanyl-4-oxidanylidene-4-phenylmethoxy-butyl)-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[3-(1-azanyl-4-oxidanylidene-4-phenylmethoxy-butyl)-4-(2-nitrophenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[3-(1-amino-4-benzyloxy-4-oxo-butyl)-4-(2-nitrophenyl)sulfonyl-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[3-(1-amino-4-oxo-4-phenylmethoxybutyl)-4-(2-nitrophenyl)sulfonyl-2-oxo-1-piperazinyl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[3-(1-amino-4-oxo-4-phenylmethoxybutyl)-4-(2-nitrophenyl)sulfonyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[3-(1-amino-4-benzoxy-4-keto-butyl)-2-keto-4-(2-nitrophenyl)sulfonyl-piperazino]-3-(2-naphthyl)propionic acid Formula: C34H34N4O9S MolecularWeight: 674.72016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H34N4O9S/c35-27(16-17-31(39)47-22-23-8-2-1-3-9-23)32-33(40)36(18-19-37(32)48(45,46)30-13-7-6-12-28(30)38(43)44)29(34(41)42)21-24-14-15-25-10-4-5-11-26(25)20-24/h1-15,20,27,29,32H,16-19,21-22,35H2,(H,41,42)