3-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]propanoic acid

Systemtic Name: 3-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-[1-[(4-methoxyphenyl)methyl]-4-imidazolyl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid IUPAC Name: 3-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-(1-p-anisylimidazol-4-yl)propionic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CN(C=N1)CC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CN(C=N1)CC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C21H29N3O4/c1-14(2)9-19(15(3)25)23-20(21(26)27)10-17-12-24(13-22-17)11-16-5-7-18(28-4)8-6-16/h5-8,12-14,19-20,23H,9-11H2,1-4H3,(H,26,27)