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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN2C=NC=C2CC(C(=O)O)NC(CC(C)C)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN2C=NC=C2CC(C(=O)O)NC(CC(C)C)C(=O)C

InChI

InChI=1S/C24H35N3O3/c1-5-6-7-19-8-10-20(11-9-19)15-27-16-25-14-21(27)13-23(24(29)30)26-22(18(4)28)12-17(2)3/h8-11,14,16-17,22-23,26H,5-7,12-13,15H2,1-4H3,(H,29,30)