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

Systemtic Name: (2S)-2-[(2-hydroxyphenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(2-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(2-hydroxyphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(2-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-(salicyloylamino)propionate Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c17-11-4-2-1-3-9(11)12(18)16-10(13(19)20)5-8-6-14-7-15-8/h1-4,6-7,10,17H,5H2,(H,14,15)(H,16,18)(H,19,20)/p-1/t10-/m0/s1