(2S,3S)-2-[2-(4-bromophenyl)ethanoylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[2-(4-bromophenyl)ethanoylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-hydroxy-butyrate Formula: C12H13BrNO4- MolecularWeight: 315.13992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])NC(=O)CC1=CC=C(C=C1)Br)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)[O-])NC(=O)CC1=CC=C(C=C1)Br)O

InChI

InChI=1S/C12H14BrNO4/c1-7(15)11(12(17)18)14-10(16)6-8-2-4-9(13)5-3-8/h2-5,7,11,15H,6H2,1H3,(H,14,16)(H,17,18)/p-1/t7-,11-/m0/s1