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

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]-3-methyl-2-(2-pyrrolidin-1-ylethanoylamino)pentanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-methyl-propyl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutan-2-yl]-3-methyl-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]pentanamide IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxybutan-2-yl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-1-methyl-propyl]-3-methyl-2-[(2-pyrrolidinoacetyl)amino]valeramide Formula: C27H44N4O7S MolecularWeight: 568.72586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)OCO2)O)NC(=O)CN3CCCC3

Isomeric SMILES

CCC(C)C(C(=O)NC(C)C(CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)OCO2)O)NC(=O)CN3CCCC3

InChI

InChI=1S/C27H44N4O7S/c1-6-19(4)26(29-25(33)16-30-11-7-8-12-30)27(34)28-20(5)22(32)15-31(14-18(2)3)39(35,36)21-9-10-23-24(13-21)38-17-37-23/h9-10,13,18-20,22,26,32H,6-8,11-12,14-17H2,1-5H3,(H,28,34)(H,29,33)