N-[(2S)-1-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-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]-3-methyl-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]-2-methyl-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]-3-methyl-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]-3-methyl-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]-2-methyl-propyl]quinaldamide Formula: C36H42N4O4S MolecularWeight: 626.80808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(CSC2=CC=CC=C2C(=O)NC(C)(C)C)O)NC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CSC2=CC=CC=C2C(=O)NC(C)(C)C)O)NC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C36H42N4O4S/c1-23(2)32(39-34(43)28-20-19-25-15-9-11-17-27(25)37-28)35(44)38-29(21-24-13-7-6-8-14-24)30(41)22-45-31-18-12-10-16-26(31)33(42)40-36(3,4)5/h6-20,23,29-30,32,41H,21-22H2,1-5H3,(H,38,44)(H,39,43)(H,40,42)/t29-,30-,32-/m0/s1