N-[4-[1,3-benzodioxol-5-ylsulfonyl(methyl)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(methyl)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(methyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(methyl)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(methyl)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(methyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-2-[(2-pyrrolidinoacetyl)amino]valeramide Formula: C30H42N4O7S MolecularWeight: 602.74208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(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(C)S(=O)(=O)C2=CC3=C(C=C2)OCO3)O)NC(=O)CN4CCCC4

InChI

InChI=1S/C30H42N4O7S/c1-4-21(2)29(32-28(36)19-34-14-8-9-15-34)30(37)31-24(16-22-10-6-5-7-11-22)25(35)18-33(3)42(38,39)23-12-13-26-27(17-23)41-20-40-26/h5-7,10-13,17,21,24-25,29,35H,4,8-9,14-16,18-20H2,1-3H3,(H,31,37)(H,32,36)