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

Systemtic Name: 3-[3-[(4-tert-butylphenyl)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-[3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-[3-[(4-tert-butylphenyl)methyl]-4-imidazolyl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid IUPAC Name: 3-[3-[(4-tert-butylphenyl)methyl]imidazol-4-yl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(4-tert-butylbenzyl)imidazol-4-yl]propionic acid Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O3/c1-16(2)11-21(17(3)28)26-22(23(29)30)12-20-13-25-15-27(20)14-18-7-9-19(10-8-18)24(4,5)6/h7-10,13,15-16,21-22,26H,11-12,14H2,1-6H3,(H,29,30)