N-[(2S)-1-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-2-hydroxy-propyl]carbamoyl]-3-methylsulfanyl-propyl]quinoline-2-carboxamide CAS Name: N-[(2S)-1-[[(2S,3R)-4-[[2-[(tert-butylamino)-oxomethyl]phenyl]thio]-3-hydroxy-1-phenylbutan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-hydroxy-1-phenylbutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[[2-(tert-butylcarbamoyl)phenyl]thio]-2-hydroxy-propyl]carbamoyl]-3-(methylthio)propyl]quinaldamide Formula: C36H42N4O4S2 MolecularWeight: 658.87308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1SCC(C(CC2=CC=CC=C2)NC(=O)C(CCSC)NC(=O)C3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1SC[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCSC)NC(=O)C3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C36H42N4O4S2/c1-36(2,3)40-33(42)26-15-9-11-17-32(26)46-23-31(41)30(22-24-12-6-5-7-13-24)39-35(44)29(20-21-45-4)38-34(43)28-19-18-25-14-8-10-16-27(25)37-28/h5-19,29-31,41H,20-23H2,1-4H3,(H,38,43)(H,39,44)(H,40,42)/t29-,30-,31-/m0/s1