(2S)-2-(3-bromanyl-5-methoxycarbonyl-4-methyl-1H-pyrrol-2-yl)-2-(2-phenoxyethanoylamino)ethanoic acid

Systemtic Name: (2S)-2-(3-bromanyl-5-methoxycarbonyl-4-methyl-1H-pyrrol-2-yl)-2-(2-phenoxyethanoylamino)ethanoic acid Openeye Name: (2S)-2-(3-bromo-5-methoxycarbonyl-4-methyl-1H-pyrrol-2-yl)-2-[(2-phenoxyacetyl)amino]acetic acid CAS Name: (2S)-2-(3-bromo-5-methoxycarbonyl-4-methyl-1H-pyrrol-2-yl)-2-[(1-oxo-2-phenoxyethyl)amino]acetic acid IUPAC Name: (2S)-2-(3-bromo-5-methoxycarbonyl-4-methyl-1H-pyrrol-2-yl)-2-[(2-phenoxyacetyl)amino]acetic acid Traditional Name: (2S)-2-(3-bromo-5-carbomethoxy-4-methyl-1H-pyrrol-2-yl)-2-[(2-phenoxyacetyl)amino]acetic acid Formula: C17H17BrN2O6 MolecularWeight: 425.23068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1Br)C(C(=O)O)NC(=O)COC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1Br)[C@@H](C(=O)O)NC(=O)COC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H17BrN2O6/c1-9-12(18)14(20-13(9)17(24)25-2)15(16(22)23)19-11(21)8-26-10-6-4-3-5-7-10/h3-7,15,20H,8H2,1-2H3,(H,19,21)(H,22,23)/t15-/m0/s1