(2S)-2-[(2-bromophenyl)carbonylamino]-3-(5-fluoranyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(2-bromophenyl)carbonylamino]-3-(5-fluoranyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(2-bromobenzoyl)amino]-3-(5-fluoro-1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-(5-fluoro-1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(2-bromobenzoyl)amino]-3-(5-fluoro-1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-(5-fluoro-1H-indol-3-yl)propionic acid Formula: C18H14BrFN2O3 MolecularWeight: 405.217763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(CC2=CNC3=C2C=C(C=C3)F)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N[C@@H](CC2=CNC3=C2C=C(C=C3)F)C(=O)O)Br

InChI

InChI=1S/C18H14BrFN2O3/c19-14-4-2-1-3-12(14)17(23)22-16(18(24)25)7-10-9-21-15-6-5-11(20)8-13(10)15/h1-6,8-9,16,21H,7H2,(H,22,23)(H,24,25)/t16-/m0/s1