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

Systemtic Name: 2-[[2-oxidanyl-2-oxidanylidene-1-[3-(phenylmethyl)imidazol-4-yl]ethyl]amino]butanoic acid Openeye Name: 2-[[1-(3-benzylimidazol-4-yl)-2-hydroxy-2-oxo-ethyl]amino]butanoic acid CAS Name: 2-[[2-hydroxy-2-oxo-1-[3-(phenylmethyl)-4-imidazolyl]ethyl]amino]butanoic acid IUPAC Name: 2-[[1-(3-benzylimidazol-4-yl)-2-hydroxy-2-oxoethyl]amino]butanoic acid Traditional Name: 2-[[1-(3-benzylimidazol-4-yl)-2-hydroxy-2-keto-ethyl]amino]butyric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC(C1=CN=CN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(C(=O)O)NC(C1=CN=CN1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H19N3O4/c1-2-12(15(20)21)18-14(16(22)23)13-8-17-10-19(13)9-11-6-4-3-5-7-11/h3-8,10,12,14,18H,2,9H2,1H3,(H,20,21)(H,22,23)