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

Systemtic Name: (3S)-3-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: (3S)-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (3S)-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoate Traditional Name: (3S)-3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-phenyl-propionate Formula: C14H12BrN2O3- MolecularWeight: 336.16068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O3/c15-10-6-12(16-8-10)14(20)17-11(7-13(18)19)9-4-2-1-3-5-9/h1-6,8,11,16H,7H2,(H,17,20)(H,18,19)/p-1/t11-/m0/s1