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

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(2-pyrrolidin-1-ylethanoylamino)pent-4-ynamide Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-[(2-pyrrolidin-1-ylacetyl)amino]pent-4-ynamide 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]-4-pentynamide IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]pent-4-ynamide Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-[(2-pyrrolidinoacetyl)amino]pent-4-ynamide Formula: C32H42N4O7S MolecularWeight: 626.76348

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H42N4O7S/c1-4-10-26(33-31(38)21-35-15-8-9-16-35)32(39)34-27(17-24-11-6-5-7-12-24)28(37)20-36(19-23(2)3)44(40,41)25-13-14-29-30(18-25)43-22-42-29/h1,5-7,11-14,18,23,26-28,37H,8-10,15-17,19-22H2,2-3H3,(H,33,38)(H,34,39)