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

Systemtic Name: 2-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-3-phenyl-propionic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4/c19-14(20)12(6-10-4-2-1-3-5-10)18-13(15(21)22)7-11-8-16-9-17-11/h1-5,8-9,12-13,18H,6-7H2,(H,16,17)(H,19,20)(H,21,22)