N-[(3S)-4-[2-(tert-butylcarbamoyl)phenyl]sulfinyl-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

Systemtic Name: N-[(3S)-4-[2-(tert-butylcarbamoyl)phenyl]sulfinyl-3-oxidanyl-1-phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide Openeye Name: N-[(2S)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]sulfinyl-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide CAS Name: N-[(3S)-4-[2-[(tert-butylamino)-oxomethyl]phenyl]sulfinyl-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo(2-quinolinyl)methyl]amino]butanediamide IUPAC Name: N-[(3S)-4-[2-(tert-butylcarbamoyl)phenyl]sulfinyl-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Traditional Name: N-[(2S)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]sulfinyl-2-hydroxy-propyl]-2-(quinaldoylamino)succinamide Formula: C35H39N5O6S MolecularWeight: 657.77906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1S(=O)CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1S(=O)C[C@H](C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C35H39N5O6S/c1-35(2,3)40-32(43)24-14-8-10-16-30(24)47(46)21-29(41)27(19-22-11-5-4-6-12-22)38-34(45)28(20-31(36)42)39-33(44)26-18-17-23-13-7-9-15-25(23)37-26/h4-18,27-29,41H,19-21H2,1-3H3,(H2,36,42)(H,38,45)(H,39,44)(H,40,43)/t27?,28?,29-,47?/m1/s1