N-[1-[[1-[2-(tert-butylcarbamoyl)piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[1-[[1-[2-(tert-butylcarbamoyl)piperidin-1-yl]-2-oxidanyl-4-phenyl-butyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]quinoline-2-carboxamide Openeye Name: N-[2-[[1-[2-(tert-butylcarbamoyl)-1-piperidyl]-2-hydroxy-4-phenyl-butyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]quinoline-2-carboxamide CAS Name: N-[1-[[1-[2-[(tert-butylamino)-oxomethyl]-1-piperidinyl]-2-hydroxy-4-phenylbutyl]amino]-3-mercapto-1-oxopropan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[1-[[1-[2-(tert-butylcarbamoyl)piperidin-1-yl]-2-hydroxy-4-phenylbutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]quinoline-2-carboxamide Traditional Name: N-[2-[[1-[2-(tert-butylcarbamoyl)piperidino]-2-hydroxy-4-phenyl-butyl]amino]-2-keto-1-(mercaptomethyl)ethyl]quinaldamide Formula: C33H43N5O4S MolecularWeight: 605.79062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)C(CS)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)C(CS)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C33H43N5O4S/c1-33(2,3)37-32(42)27-15-9-10-20-38(27)29(28(39)19-16-22-11-5-4-6-12-22)36-31(41)26(21-43)35-30(40)25-18-17-23-13-7-8-14-24(23)34-25/h4-8,11-14,17-18,26-29,39,43H,9-10,15-16,19-21H2,1-3H3,(H,35,40)(H,36,41)(H,37,42)