(2S,3S)-2-[(3-bromophenyl)carbamoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(3-bromophenyl)carbamoylamino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(3-bromophenyl)carbamoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(3-bromoanilino)-oxomethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(3-bromophenyl)carbamoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(3-bromophenyl)carbamoylamino]-3-methyl-valerate Formula: C13H16BrN2O3- MolecularWeight: 328.18174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)NC1=CC(=CC=C1)Br

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H17BrN2O3/c1-3-8(2)11(12(17)18)16-13(19)15-10-6-4-5-9(14)7-10/h4-8,11H,3H2,1-2H3,(H,17,18)(H2,15,16,19)/p-1/t8-,11-/m0/s1