methyl (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid methyl ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO3/c1-8(2)11(13(17)18-3)15-12(16)9-4-6-10(14)7-5-9/h4-8,11H,1-3H3,(H,15,16)/t11-/m0/s1