N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methyl-2-(2-pyrrolidin-1-ylethanoylamino)pentanamide

Systemtic Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methyl-2-(2-pyrrolidin-1-ylethanoylamino)pentanamide Openeye Name: N-[1-benzyl-3-[2,3-dihydrobenzofuran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide CAS Name: N-[4-[2,3-dihydrobenzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]pentanamide IUPAC Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide Traditional Name: N-[1-benzyl-3-[coumaran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-3-methyl-2-[(2-pyrrolidinoacetyl)amino]valeramide Formula: C34H50N4O6S MolecularWeight: 642.849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCC3)O)NC(=O)CN4CCCC4

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCC3)O)NC(=O)CN4CCCC4

InChI

InChI=1S/C34H50N4O6S/c1-5-25(4)33(36-32(40)23-37-16-9-10-17-37)34(41)35-29(19-26-11-7-6-8-12-26)30(39)22-38(21-24(2)3)45(42,43)28-13-14-31-27(20-28)15-18-44-31/h6-8,11-14,20,24-25,29-30,33,39H,5,9-10,15-19,21-23H2,1-4H3,(H,35,41)(H,36,40)