2-[[2-oxidanyl-2-oxidanylidene-1-[3-(phenylmethyl)imidazol-4-yl]ethyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-oxidanyl-2-oxidanylidene-1-[3-(phenylmethyl)imidazol-4-yl]ethyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(3-benzylimidazol-4-yl)-2-hydroxy-2-oxo-ethyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-hydroxy-2-oxo-1-[3-(phenylmethyl)-4-imidazolyl]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(3-benzylimidazol-4-yl)-2-hydroxy-2-oxoethyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-(3-benzylimidazol-4-yl)-2-hydroxy-2-keto-ethyl]amino]-3-phenyl-propionic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(C2=CN=CN2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(C2=CN=CN2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21N3O4/c25-20(26)17(11-15-7-3-1-4-8-15)23-19(21(27)28)18-12-22-14-24(18)13-16-9-5-2-6-10-16/h1-10,12,14,17,19,23H,11,13H2,(H,25,26)(H,27,28)