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

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-[(4-isopropylphenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(4-propan-2-ylphenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(4-isopropylbenzyl)imidazol-4-yl]propionic acid Formula: C23H33N3O3 MolecularWeight: 399.52642

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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(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3/c1-15(2)10-21(17(5)27)25-22(23(28)29)11-20-12-24-14-26(20)13-18-6-8-19(9-7-18)16(3)4/h6-9,12,14-16,21-22,25H,10-11,13H2,1-5H3,(H,28,29)