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

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2-pyrrolidin-1-ylethanoylamino)propanamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]propanamide IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-[(2-pyrrolidinoacetyl)amino]propionamide Formula: C30H42N4O7S MolecularWeight: 602.74208

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H42N4O7S/c1-21(2)17-34(42(38,39)24-11-12-27-28(16-24)41-20-40-27)18-26(35)25(15-23-9-5-4-6-10-23)32-30(37)22(3)31-29(36)19-33-13-7-8-14-33/h4-6,9-12,16,21-22,25-26,35H,7-8,13-15,17-20H2,1-3H3,(H,31,36)(H,32,37)