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

Systemtic Name: N-[(2S)-1-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfonyl-3-oxidanyl-1-phenyl-butan-2-yl]amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]sulfonyl-2-hydroxy-propyl]carbamoyl]-3-methylsulfonyl-propyl]quinoline-2-carboxamide CAS Name: N-[(2S)-1-[[(2S,3R)-4-[2-[(tert-butylamino)-oxomethyl]phenyl]sulfonyl-3-hydroxy-1-phenylbutan-2-yl]amino]-4-methylsulfonyl-1-oxobutan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-1-[[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfonyl-3-hydroxy-1-phenylbutan-2-yl]amino]-4-methylsulfonyl-1-oxobutan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]sulfonyl-2-hydroxy-propyl]carbamoyl]-3-mesyl-propyl]quinaldamide Formula: C36H42N4O8S2 MolecularWeight: 722.87068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H42N4O8S2/c1-36(2,3)40-33(42)26-15-9-11-17-32(26)50(47,48)23-31(41)30(22-24-12-6-5-7-13-24)39-35(44)29(20-21-49(4,45)46)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