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

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-[3-[(2-methyl-3-phenyl-phenyl)methyl]imidazol-4-yl]propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-[(2-methyl-3-phenyl-phenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(2-methyl-3-phenylphenyl)methyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-[3-[(2-methyl-3-phenylphenyl)methyl]imidazol-4-yl]propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-[3-(2-methyl-3-phenyl-benzyl)imidazol-4-yl]propionic acid Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CN2C=NC=C2CC(C(=O)O)NC(CC(C)C)C(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1CN2C=NC=C2CC(C(=O)O)NC(CC(C)C)C(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C27H33N3O3/c1-18(2)13-25(20(4)31)29-26(27(32)33)14-23-15-28-17-30(23)16-22-11-8-12-24(19(22)3)21-9-6-5-7-10-21/h5-12,15,17-18,25-26,29H,13-14,16H2,1-4H3,(H,32,33)