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

Systemtic Name: (2S)-2-[(4-hydroxyphenyl)carbonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2S)-2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2S)-2-[[(4-hydroxyphenyl)-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2S)-2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2S)-2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propionate Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c17-10-3-1-8(2-4-10)12(18)16-11(13(19)20)5-9-6-14-7-15-9/h1-4,6-7,11,17H,5H2,(H,14,15)(H,16,18)(H,19,20)/p-1/t11-/m0/s1