3-nitro-5-oxidanyl-3-(phenethylcarbamoylamino)-2-(4-phenylphenyl)pentanoic acid

Systemtic Name: 3-nitro-5-oxidanyl-3-(phenethylcarbamoylamino)-2-(4-phenylphenyl)pentanoic acid Openeye Name: 5-hydroxy-3-nitro-3-(phenethylcarbamoylamino)-2-(4-phenylphenyl)pentanoic acid CAS Name: 5-hydroxy-3-nitro-3-[[oxo-(phenethylamino)methyl]amino]-2-(4-phenylphenyl)pentanoic acid IUPAC Name: 5-hydroxy-3-nitro-3-(phenethylcarbamoylamino)-2-(4-phenylphenyl)pentanoic acid Traditional Name: 5-hydroxy-3-nitro-3-(phenethylcarbamoylamino)-2-(4-phenylphenyl)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)(C(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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