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

Systemtic Name: 2-[(5-methyl-2-oxidanylidene-hexan-3-yl)amino]-3-(3-phenethylimidazol-4-yl)propanoic acid Openeye Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-(3-phenethylimidazol-4-yl)propanoic acid CAS Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-(3-phenethyl-4-imidazolyl)propanoic acid IUPAC Name: 2-[(5-methyl-2-oxohexan-3-yl)amino]-3-(3-phenethylimidazol-4-yl)propanoic acid Traditional Name: 2-[(1-acetyl-3-methyl-butyl)amino]-3-(3-phenethylimidazol-4-yl)propionic acid Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)C)NC(CC1=CN=CN1CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H29N3O3/c1-15(2)11-19(16(3)25)23-20(21(26)27)12-18-13-22-14-24(18)10-9-17-7-5-4-6-8-17/h4-8,13-15,19-20,23H,9-12H2,1-3H3,(H,26,27)