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

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)butanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]butanamide 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]butanamide 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]butanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-2-[(2-pyrrolidinoacetyl)amino]butyramide Formula: C32H46N4O7S MolecularWeight: 630.79524

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H46N4O7S/c1-22(2)18-36(44(40,41)25-12-13-28-29(17-25)43-21-42-28)19-27(37)26(16-24-10-6-5-7-11-24)33-32(39)31(23(3)4)34-30(38)20-35-14-8-9-15-35/h5-7,10-13,17,22-23,26-27,31,37H,8-9,14-16,18-21H2,1-4H3,(H,33,39)(H,34,38)