(2S)-2-[(2-bromophenyl)methylcarbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[[(2-bromophenyl)methylamino]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(2-bromophenyl)methylcarbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzyl)carbamoylamino]-3-methyl-butyrate Formula: C13H16BrN2O3- MolecularWeight: 328.18174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)NCC1=CC=CC=C1Br

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)NCC1=CC=CC=C1Br

InChI

InChI=1S/C13H17BrN2O3/c1-8(2)11(12(17)18)16-13(19)15-7-9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m0/s1