(3S)-3-azanyl-3-[1-(4-bromophenyl)pyrrol-3-yl]propanoic acid

Systemtic Name: (3S)-3-azanyl-3-[1-(4-bromophenyl)pyrrol-3-yl]propanoic acid Openeye Name: (3S)-3-amino-3-[1-(4-bromophenyl)pyrrol-3-yl]propanoic acid CAS Name: (3S)-3-amino-3-[1-(4-bromophenyl)-3-pyrrolyl]propanoic acid IUPAC Name: (3S)-3-amino-3-[1-(4-bromophenyl)pyrrol-3-yl]propanoic acid Traditional Name: (3S)-3-amino-3-[1-(4-bromophenyl)pyrrol-3-yl]propionic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CC(=C2)C(CC(=O)O)N)Br

Isomeric SMILES

C1=CC(=CC=C1N2C=CC(=C2)[C@H](CC(=O)O)N)Br

InChI

InChI=1S/C13H13BrN2O2/c14-10-1-3-11(4-2-10)16-6-5-9(8-16)12(15)7-13(17)18/h1-6,8,12H,7,15H2,(H,17,18)/t12-/m0/s1