3-(3-nitro-4-phenyl-phenyl)-5-oxidanyl-3-(phenethylcarbamoylamino)pentanoic acid

Systemtic Name: 3-(3-nitro-4-phenyl-phenyl)-5-oxidanyl-3-(phenethylcarbamoylamino)pentanoic acid Openeye Name: 5-hydroxy-3-(3-nitro-4-phenyl-phenyl)-3-(phenethylcarbamoylamino)pentanoic acid CAS Name: 5-hydroxy-3-(3-nitro-4-phenylphenyl)-3-[[oxo-(phenethylamino)methyl]amino]pentanoic acid IUPAC Name: 5-hydroxy-3-(3-nitro-4-phenylphenyl)-3-(phenethylcarbamoylamino)pentanoic acid Traditional Name: 5-hydroxy-3-(3-nitro-4-phenyl-phenyl)-3-(phenethylcarbamoylamino)valeric acid Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NC(CCO)(CC(=O)O)C2=CC(=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NC(CCO)(CC(=O)O)C2=CC(=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O6/c30-16-14-26(18-24(31)32,28-25(33)27-15-13-19-7-3-1-4-8-19)21-11-12-22(23(17-21)29(34)35)20-9-5-2-6-10-20/h1-12,17,30H,13-16,18H2,(H,31,32)(H2,27,28,33)