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

Systemtic Name: 3-[3-[(4-cyanophenyl)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-cyanophenyl)methyl]imidazol-4-yl]propanoic acid CAS Name: 3-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-2-[(5-methyl-2-oxohexan-3-yl)amino]propanoic acid IUPAC Name: 3-[3-[(4-cyanophenyl)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-cyanobenzyl)imidazol-4-yl]propionic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

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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#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-14(2)8-19(15(3)26)24-20(21(27)28)9-18-11-23-13-25(18)12-17-6-4-16(10-22)5-7-17/h4-7,11,13-14,19-20,24H,8-9,12H2,1-3H3,(H,27,28)