2-[[5,5-dimethyl-4-oxidanylidene-2-(phenylmethyl)hexanoyl]-methyl-amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[[5,5-dimethyl-4-oxidanylidene-2-(phenylmethyl)hexanoyl]-methyl-amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(2-benzyl-5,5-dimethyl-4-oxo-hexanoyl)-methyl-amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[5,5-dimethyl-1,4-dioxo-2-(phenylmethyl)hexyl]-methylamino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(2-benzyl-5,5-dimethyl-4-oxohexanoyl)-methylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[(2-benzyl-4-keto-5,5-dimethyl-hexanoyl)-methyl-amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(CC1=CC=CC=C1)C(=O)N(C)C(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)CC(CC1=CC=CC=C1)C(=O)N(C)C(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C22H29N3O4/c1-22(2,3)19(26)11-16(10-15-8-6-5-7-9-15)20(27)25(4)18(21(28)29)12-17-13-23-14-24-17/h5-9,13-14,16,18H,10-12H2,1-4H3,(H,23,24)(H,28,29)