(2S,3R)-2-[(4-bromophenyl)carbonylamino]-3-methoxycarbonyl-pentanedioic acid

Systemtic Name: (2S,3R)-2-[(4-bromophenyl)carbonylamino]-3-methoxycarbonyl-pentanedioic acid Openeye Name: (2S,3R)-2-[(4-bromobenzoyl)amino]-3-methoxycarbonyl-pentanedioic acid CAS Name: (2S,3R)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methoxycarbonylpentanedioic acid IUPAC Name: (2S,3R)-2-[(4-bromobenzoyl)amino]-3-methoxycarbonylpentanedioic acid Traditional Name: (2S,3R)-2-[(4-bromobenzoyl)amino]-3-carbomethoxy-glutaric acid Formula: C14H14BrNO7 MolecularWeight: 388.16746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)O)C(C(=O)O)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)[C@H](CC(=O)O)[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H14BrNO7/c1-23-14(22)9(6-10(17)18)11(13(20)21)16-12(19)7-2-4-8(15)5-3-7/h2-5,9,11H,6H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-,11+/m1/s1