(2S)-2-[(2,6-dimethylphenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[(2,6-dimethylphenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[(2,6-dimethylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(2,6-dimethylphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[(2,6-dimethylbenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[(2,6-dimethylbenzoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-9-4-3-5-10(2)13(9)14(19)18-12(15(20)21)6-11-7-16-8-17-11/h3-5,7-8,12H,6H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t12-/m0/s1