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

Systemtic Name: (2S)-2-[2-(2-chlorophenyl)ethanoylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[2-(2-chlorophenyl)-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[[2-(2-chlorophenyl)acetyl]amino]-3-(1H-imidazol-5-yl)propionate Formula: C14H13ClN3O3- MolecularWeight: 306.72432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClN3O3/c15-11-4-2-1-3-9(11)5-13(19)18-12(14(20)21)6-10-7-16-8-17-10/h1-4,7-8,12H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-1/t12-/m0/s1