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

Systemtic Name: (2S)-3-(6-bromanyl-1H-indol-3-yl)-2-[(2-phenoxyphenyl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(6-bromo-1H-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid CAS Name: (2S)-3-(6-bromo-1H-indol-3-yl)-2-[[oxo-(2-phenoxyphenyl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(6-bromo-1H-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid Traditional Name: (2S)-3-(6-bromo-1H-indol-3-yl)-2-[(2-phenoxybenzoyl)amino]propionic acid Formula: C24H19BrN2O4 MolecularWeight: 479.32266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)NC(CC3=CNC4=C3C=CC(=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)N[C@@H](CC3=CNC4=C3C=CC(=C4)Br)C(=O)O

InChI

InChI=1S/C24H19BrN2O4/c25-16-10-11-18-15(14-26-20(18)13-16)12-21(24(29)30)27-23(28)19-8-4-5-9-22(19)31-17-6-2-1-3-7-17/h1-11,13-14,21,26H,12H2,(H,27,28)(H,29,30)/t21-/m0/s1