6-azanyl-2-[2-iodanylethanoyl(2-methylpropyl)amino]-2-(4-methylphenyl)sulfonyl-hexanoic acid

Systemtic Name: 6-azanyl-2-[2-iodanylethanoyl(2-methylpropyl)amino]-2-(4-methylphenyl)sulfonyl-hexanoic acid Openeye Name: 6-amino-2-[(2-iodoacetyl)-isobutyl-amino]-2-(p-tolylsulfonyl)hexanoic acid CAS Name: 6-amino-2-[(2-iodo-1-oxoethyl)-(2-methylpropyl)amino]-2-(4-methylphenyl)sulfonylhexanoic acid IUPAC Name: 6-amino-2-[(2-iodoacetyl)-(2-methylpropyl)amino]-2-(4-methylphenyl)sulfonylhexanoic acid Traditional Name: 6-amino-2-[(2-iodoacetyl)-isobutyl-amino]-2-tosyl-hexanoic acid Formula: C19H29IN2O5S MolecularWeight: 524.41343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCN)(C(=O)O)N(CC(C)C)C(=O)CI

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCN)(C(=O)O)N(CC(C)C)C(=O)CI

InChI

InChI=1S/C19H29IN2O5S/c1-14(2)13-22(17(23)12-20)19(18(24)25,10-4-5-11-21)28(26,27)16-8-6-15(3)7-9-16/h6-9,14H,4-5,10-13,21H2,1-3H3,(H,24,25)