(2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]-2-[(2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]butanediamide

Systemtic Name: (2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]-2-[(2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]butanediamide Openeye Name: (2S)-N-[(1S,2R)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-2-hydroxy-propyl]-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanediamide CAS Name: (2S)-N-[(2S,3R)-4-[[2-[(tert-butylamino)-oxomethyl]phenyl]thio]-3-hydroxy-1-phenylbutan-2-yl]-2-[[oxo-(2-oxo-1H-pyridin-3-yl)methyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-hydroxy-1-phenylbutan-2-yl]-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanediamide Traditional Name: (2S)-N-[(1S,2R)-1-benzyl-3-[[2-(tert-butylcarbamoyl)phenyl]thio]-2-hydroxy-propyl]-2-[(2-keto-1H-pyridine-3-carbonyl)amino]succinamide Formula: C31H37N5O6S MolecularWeight: 607.72038

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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(CC(=O)N)NC(=O)C3=CC=CNC3=O)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1SC[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=CC=CNC3=O)O

InChI

InChI=1S/C31H37N5O6S/c1-31(2,3)36-29(41)20-12-7-8-14-25(20)43-18-24(37)22(16-19-10-5-4-6-11-19)34-30(42)23(17-26(32)38)35-28(40)21-13-9-15-33-27(21)39/h4-15,22-24,37H,16-18H2,1-3H3,(H2,32,38)(H,33,39)(H,34,42)(H,35,40)(H,36,41)/t22-,23-,24-/m0/s1