(2S)-2-[(4-chlorophenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2S)-2-[(4-chlorophenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-3-(1H-imidazol-5-yl)propionate Formula: C13H11ClN3O3- MolecularWeight: 292.69774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC2=CN=CN2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O3/c14-9-3-1-8(2-4-9)12(18)17-11(13(19)20)5-10-6-15-7-16-10/h1-4,6-7,11H,5H2,(H,15,16)(H,17,18)(H,19,20)/p-1/t11-/m0/s1