5-[[[1-(1H-imidazol-5-yl)-3-oxidanyl-propan-2-yl]-pentanoyl-amino]methyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[[[1-(1H-imidazol-5-yl)-3-oxidanyl-propan-2-yl]-pentanoyl-amino]methyl]-2-phenyl-benzoic acid Openeye Name: 5-[[[1-(hydroxymethyl)-2-(1H-imidazol-5-yl)ethyl]-pentanoyl-amino]methyl]-2-phenyl-benzoic acid CAS Name: 5-[[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-(1-oxopentyl)amino]methyl]-2-phenylbenzoic acid IUPAC Name: 5-[[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-pentanoylamino]methyl]-2-phenylbenzoic acid Traditional Name: 5-[[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)ethyl]-valeryl-amino]methyl]-2-phenyl-benzoic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)O)C(CC3=CN=CN3)CO

Isomeric SMILES

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)O)C(CC3=CN=CN3)CO

InChI

InChI=1S/C25H29N3O4/c1-2-3-9-24(30)28(21(16-29)13-20-14-26-17-27-20)15-18-10-11-22(23(12-18)25(31)32)19-7-5-4-6-8-19/h4-8,10-12,14,17,21,29H,2-3,9,13,15-16H2,1H3,(H,26,27)(H,31,32)