N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-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-1-phenyl-butan-2-yl]-3-methyl-2-(2-pyrrolidin-1-ylethanoylamino)pentanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide CAS Name: N-[4-[1,3-benzodioxol-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-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-2-[(2-pyrrolidinoacetyl)amino]valeramide Formula: C33H48N4O7S MolecularWeight: 644.82182

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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)OCO3)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)OCO3)O)NC(=O)CN4CCCC4

InChI

InChI=1S/C33H48N4O7S/c1-5-24(4)32(35-31(39)21-36-15-9-10-16-36)33(40)34-27(17-25-11-7-6-8-12-25)28(38)20-37(19-23(2)3)45(41,42)26-13-14-29-30(18-26)44-22-43-29/h6-8,11-14,18,23-24,27-28,32,38H,5,9-10,15-17,19-22H2,1-4H3,(H,34,40)(H,35,39)