4-[[5-[2-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-[2-[(4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl)amino]-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[2-[(1-carboxy-3-methyl-butyl)amino]-3-hydroxy-3-oxo-propyl]imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[3-hydroxy-2-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-3-oxopropyl]-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[3-hydroxy-2-[(1-hydroxy-4-methyl-1-oxopentan-2-yl)amino]-3-oxopropyl]imidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[2-[(1-carboxy-3-methyl-butyl)amino]-3-hydroxy-3-keto-propyl]imidazol-1-yl]methyl]benzoic acid Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(CC1=CN=CN1CC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)NC(CC1=CN=CN1CC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H25N3O6/c1-12(2)7-16(19(26)27)22-17(20(28)29)8-15-9-21-11-23(15)10-13-3-5-14(6-4-13)18(24)25/h3-6,9,11-12,16-17,22H,7-8,10H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)