(2S,3S)-2-[2-(4-bromophenyl)ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[2-(4-bromophenyl)ethanoylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[2-(4-bromophenyl)acetyl]amino]-3-methyl-valeric acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CC1=CC=C(C=C1)Br

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H18BrNO3/c1-3-9(2)13(14(18)19)16-12(17)8-10-4-6-11(15)7-5-10/h4-7,9,13H,3,8H2,1-2H3,(H,16,17)(H,18,19)/t9-,13-/m0/s1