N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methylsulfonyl-2-(2-pyrrolidin-1-ylethanoylamino)propanamide

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methylsulfonyl-2-(2-pyrrolidin-1-ylethanoylamino)propanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methylsulfonyl-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylsulfonyl-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]propanamide IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methylsulfonyl-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-mesyl-2-[(2-pyrrolidinoacetyl)amino]propionamide Formula: C31H44N4O9S2 MolecularWeight: 680.83246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CS(=O)(=O)C)NC(=O)CN2CCCC2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CS(=O)(=O)C)NC(=O)CN2CCCC2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C31H44N4O9S2/c1-22(2)17-35(46(41,42)24-11-12-28-29(16-24)44-21-43-28)18-27(36)25(15-23-9-5-4-6-10-23)33-31(38)26(20-45(3,39)40)32-30(37)19-34-13-7-8-14-34/h4-6,9-12,16,22,25-27,36H,7-8,13-15,17-21H2,1-3H3,(H,32,37)(H,33,38)