2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 3-(3-benzylimidazol-4-yl)-2-[(1-benzyl-2-oxo-propyl)amino]propanoic acid CAS Name: 2-[(3-oxo-1-phenylbutan-2-yl)amino]-3-[3-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(3-benzylimidazol-4-yl)-2-[(3-oxo-1-phenylbutan-2-yl)amino]propanoic acid Traditional Name: 3-(3-benzylimidazol-4-yl)-2-[(1-benzyl-2-keto-propyl)amino]propionic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(CC2=CN=CN2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(CC2=CN=CN2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25N3O3/c1-17(27)21(12-18-8-4-2-5-9-18)25-22(23(28)29)13-20-14-24-16-26(20)15-19-10-6-3-7-11-19/h2-11,14,16,21-22,25H,12-13,15H2,1H3,(H,28,29)