N'-[3-[3-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N'-[3-[3-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N'-[1-benzyl-2-[3-(tert-butylcarbamoyl)phenyl]sulfanyl-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N'-[3-[[3-[(tert-butylamino)-oxomethyl]phenyl]thio]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N'-[3-[3-(tert-butylcarbamoyl)phenyl]sulfanyl-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N'-[1-benzyl-2-[[3-(tert-butylcarbamoyl)phenyl]thio]-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C35H39N5O5S MolecularWeight: 641.77966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)SC(C)(C(CC2=CC=CC=C2)NC(=O)CC(C(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)SC(C)(C(CC2=CC=CC=C2)NC(=O)CC(C(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C35H39N5O5S/c1-34(2,3)40-32(43)24-14-10-15-25(20-24)46-35(4,45)29(19-22-11-6-5-7-12-22)39-30(41)21-28(31(36)42)38-33(44)27-18-17-23-13-8-9-16-26(23)37-27/h5-18,20,28-29,45H,19,21H2,1-4H3,(H2,36,42)(H,38,44)(H,39,41)(H,40,43)