2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-[(2-phenylphenyl)methyl]imidazol-4-yl]propanoic acid

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-[(2-phenylphenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-[(2-phenylphenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(2-phenylphenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(2-phenylphenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(2-phenylbenzyl)imidazol-4-yl]propionic acid Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CC2=CC=CC=C2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CC2=CC=CC=C2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H31N3O3/c1-18(2)13-24(19(3)30)28-25(26(31)32)14-22-15-27-17-29(22)16-21-11-7-8-12-23(21)20-9-5-4-6-10-20/h4-12,15,17-18,24-25,28H,13-14,16H2,1-3H3,(H,31,32)