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

Systemtic Name: 3-methyl-2-[[2-oxidanyl-2-oxidanylidene-1-[3-(phenylmethyl)imidazol-4-yl]ethyl]amino]pentanoic acid Openeye Name: 2-[[1-(3-benzylimidazol-4-yl)-2-hydroxy-2-oxo-ethyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-hydroxy-2-oxo-1-[3-(phenylmethyl)-4-imidazolyl]ethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[1-(3-benzylimidazol-4-yl)-2-hydroxy-2-oxoethyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[1-(3-benzylimidazol-4-yl)-2-hydroxy-2-keto-ethyl]amino]-3-methyl-valeric acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-3-12(2)15(17(22)23)20-16(18(24)25)14-9-19-11-21(14)10-13-7-5-4-6-8-13/h4-9,11-12,15-16,20H,3,10H2,1-2H3,(H,22,23)(H,24,25)