(2S)-2-[(2-bromanyl-6-fluoranyl-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(2-bromanyl-6-fluoranyl-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(2-bromo-6-fluoro-benzoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2-bromo-6-fluorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(2-bromo-6-fluorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(2-bromo-6-fluoro-benzoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C18H14BrFN2O3 MolecularWeight: 405.217763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3Br)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Br)F

InChI

InChI=1S/C18H14BrFN2O3/c19-12-5-3-6-13(20)16(12)17(23)22-15(18(24)25)8-10-9-21-14-7-2-1-4-11(10)14/h1-7,9,15,21H,8H2,(H,22,23)(H,24,25)/t15-/m0/s1