(2S)-2-[(3-bromophenyl)methylcarbamoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(3-bromophenyl)methylcarbamoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3-bromophenyl)methylcarbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(3-bromophenyl)methylamino]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(3-bromophenyl)methylcarbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[(3-bromobenzyl)carbamoylamino]-4-methyl-valerate Formula: C14H18BrN2O3- MolecularWeight: 342.20832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)NCC1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)NCC1=CC(=CC=C1)Br

InChI

InChI=1S/C14H19BrN2O3/c1-9(2)6-12(13(18)19)17-14(20)16-8-10-4-3-5-11(15)7-10/h3-5,7,9,12H,6,8H2,1-2H3,(H,18,19)(H2,16,17,20)/p-1/t12-/m0/s1