N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methyl-3-methylsulfonyl-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-3-methylsulfonyl-2-(2-pyrrolidin-1-ylethanoylamino)butanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-3-methylsulfonyl-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-3-methylsulfonyl-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-3-methylsulfonyl-2-[(2-pyrrolidin-1-ylacetyl)amino]butanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-mesyl-3-methyl-2-[(2-pyrrolidinoacetyl)amino]butyramide Formula: C33H48N4O9S2 MolecularWeight: 708.88562

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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)S(=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(C(C)(C)S(=O)(=O)C)NC(=O)CN2CCCC2)O)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C33H48N4O9S2/c1-23(2)19-37(48(43,44)25-13-14-28-29(18-25)46-22-45-28)20-27(38)26(17-24-11-7-6-8-12-24)34-32(40)31(33(3,4)47(5,41)42)35-30(39)21-36-15-9-10-16-36/h6-8,11-14,18,23,26-27,31,38H,9-10,15-17,19-22H2,1-5H3,(H,34,40)(H,35,39)