(2R)-3-[4-(4-bromophenyl)sulfonyloxyphenyl]-2-(carboxycarbonylamino)propanoic acid

Systemtic Name: (2R)-3-[4-(4-bromophenyl)sulfonyloxyphenyl]-2-(carboxycarbonylamino)propanoic acid Openeye Name: (2R)-3-[4-(4-bromophenyl)sulfonyloxyphenyl]-2-(oxaloamino)propanoic acid CAS Name: (2R)-3-[4-(4-bromophenyl)sulfonyloxyphenyl]-2-(oxaloamino)propanoic acid IUPAC Name: (2R)-3-[4-(4-bromophenyl)sulfonyloxyphenyl]-2-(oxaloamino)propanoic acid Traditional Name: (2R)-3-(4-brosyloxyphenyl)-2-(oxaloamino)propionic acid Formula: C17H14BrNO8S MolecularWeight: 472.26396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(=O)O)OS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1C[C@H](C(=O)O)NC(=O)C(=O)O)OS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H14BrNO8S/c18-11-3-7-13(8-4-11)28(25,26)27-12-5-1-10(2-6-12)9-14(16(21)22)19-15(20)17(23)24/h1-8,14H,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1