(2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: (2S)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propionate Formula: C14H12BrN2O4- MolecularWeight: 352.16008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NC(=O)C2=CC(=CN2)Br)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)[O-])NC(=O)C2=CC(=CN2)Br)O

InChI

InChI=1S/C14H13BrN2O4/c15-9-6-11(16-7-9)13(19)17-12(14(20)21)5-8-1-3-10(18)4-2-8/h1-4,6-7,12,16,18H,5H2,(H,17,19)(H,20,21)/p-1/t12-/m0/s1