N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-(2-oxidanylidene-2-pyridin-3-yl-ethyl)sulfonyl-propanamide

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-(2-oxidanylidene-2-pyridin-3-yl-ethyl)sulfonyl-propanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-3-[2-oxo-2-(3-pyridyl)ethyl]sulfonyl-propanamide CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-[2-oxo-2-(3-pyridinyl)ethyl]sulfonylpropanamide IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(2-oxo-2-pyridin-3-ylethyl)sulfonylpropanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-[2-keto-2-(3-pyridyl)ethyl]sulfonyl-2-methyl-propionamide Formula: C32H39N3O9S2 MolecularWeight: 673.79676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)CC(=O)C2=CN=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)CC(=O)C2=CN=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C32H39N3O9S2/c1-22(2)17-35(46(41,42)26-11-12-30-31(15-26)44-21-43-30)18-28(36)27(14-24-8-5-4-6-9-24)34-32(38)23(3)19-45(39,40)20-29(37)25-10-7-13-33-16-25/h4-13,15-16,22-23,27-28,36H,14,17-21H2,1-3H3,(H,34,38)