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

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(CC2=CN=CN2)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(CC2=CN=CN2)C(=O)O)O

InChI

InChI=1S/C15H17N3O5/c19-11-3-1-9(2-4-11)5-12(14(20)21)18-13(15(22)23)6-10-7-16-8-17-10/h1-4,7-8,12-13,18-19H,5-6H2,(H,16,17)(H,20,21)(H,22,23)