4-methyl-2-[2-[methylsulfonyl-(phenylmethyl)amino]ethanoylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[2-[methylsulfonyl-(phenylmethyl)amino]ethanoylamino]pentanoic acid Openeye Name: 2-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[2-[methylsulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[benzyl(mesyl)amino]acetyl]amino]-4-methyl-valeric acid Formula: C16H24N2O5S MolecularWeight: 356.43716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C16H24N2O5S/c1-12(2)9-14(16(20)21)17-15(19)11-18(24(3,22)23)10-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,17,19)(H,20,21)