5-[[(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[(1R)-1-benzyl-2-(4-nitroanilino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[(2R)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[(2R)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[(1R)-1-benzyl-2-keto-2-(4-nitroanilino)ethyl]amino]-5-keto-valeric acid Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCCC(=O)O

InChI

InChI=1S/C20H21N3O6/c24-18(7-4-8-19(25)26)22-17(13-14-5-2-1-3-6-14)20(27)21-15-9-11-16(12-10-15)23(28)29/h1-3,5-6,9-12,17H,4,7-8,13H2,(H,21,27)(H,22,24)(H,25,26)/t17-/m1/s1