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

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(m-tolylmethyl)imidazol-4-yl]propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(3-methylphenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(3-methylbenzyl)imidazol-4-yl]propionic acid Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC=C2CC(C(=O)O)NC(CC(C)C)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC=C2CC(C(=O)O)NC(CC(C)C)C(=O)C

InChI

InChI=1S/C21H29N3O3/c1-14(2)8-19(16(4)25)23-20(21(26)27)10-18-11-22-13-24(18)12-17-7-5-6-15(3)9-17/h5-7,9,11,13-14,19-20,23H,8,10,12H2,1-4H3,(H,26,27)