methyl (2S)-2-[[(2R)-2-bromanyl-2-(4-methylphenyl)ethanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-bromanyl-2-(4-methylphenyl)ethanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-bromo-2-(p-tolyl)acetyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(2R)-2-bromo-2-(4-methylphenyl)-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-bromo-2-(4-methylphenyl)acetyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[(2R)-2-bromo-2-(p-tolyl)acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NC(CO)C(=O)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C(=O)N[C@@H](CO)C(=O)OC)Br

InChI

InChI=1S/C13H16BrNO4/c1-8-3-5-9(6-4-8)11(14)12(17)15-10(7-16)13(18)19-2/h3-6,10-11,16H,7H2,1-2H3,(H,15,17)/t10-,11+/m0/s1