(2S)-2-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(2-bromanyl-5-methoxy-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(2-bromo-5-methoxy-benzoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[[(2-bromo-5-methoxyphenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(2-bromo-5-methoxybenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(2-bromo-5-methoxy-benzoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C19H17BrN2O4/c1-26-12-6-7-15(20)14(9-12)18(23)22-17(19(24)25)8-11-10-21-16-5-3-2-4-13(11)16/h2-7,9-10,17,21H,8H2,1H3,(H,22,23)(H,24,25)/t17-/m0/s1