2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-4-phenyl-butyric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C16H19N3O4/c20-15(21)13(7-6-11-4-2-1-3-5-11)19-14(16(22)23)8-12-9-17-10-18-12/h1-5,9-10,13-14,19H,6-8H2,(H,17,18)(H,20,21)(H,22,23)