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

Systemtic Name: (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(4-chloroanilino)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-(1H-imidazol-5-yl)propionate Formula: C13H12ClN4O3- MolecularWeight: 307.71238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC(CC2=CN=CN2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-])Cl

InChI

InChI=1S/C13H13ClN4O3/c14-8-1-3-9(4-2-8)17-13(21)18-11(12(19)20)5-10-6-15-7-16-10/h1-4,6-7,11H,5H2,(H,15,16)(H,19,20)(H2,17,18,21)/p-1/t11-/m0/s1