(2S)-3-(4-hydroxyphenyl)-2-(1H-pyrrol-2-ylcarbonylamino)propanoate

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-(1H-pyrrol-2-ylcarbonylamino)propanoate Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-(1H-pyrrole-2-carbonylamino)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[oxo(1H-pyrrol-2-yl)methyl]amino]propanoate IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-(1H-pyrrole-2-carbonylamino)propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-(1H-pyrrole-2-carbonylamino)propionate Formula: C14H13N2O4- MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)[O-]

Isomeric SMILES

C1=CNC(=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)[O-]

InChI

InChI=1S/C14H14N2O4/c17-10-5-3-9(4-6-10)8-12(14(19)20)16-13(18)11-2-1-7-15-11/h1-7,12,15,17H,8H2,(H,16,18)(H,19,20)/p-1/t12-/m0/s1