(2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]-2-[(5-oxidanylpyridin-2-yl)carbonylamino]butanediamide

Systemtic Name: (2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]-2-[(5-oxidanylpyridin-2-yl)carbonylamino]butanediamide Openeye Name: (2S)-N-[(1S,2R)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-2-hydroxy-propyl]-2-[(5-hydroxypyridine-2-carbonyl)amino]butanediamide CAS Name: (2S)-N-[(2S,3R)-4-[[2-[(tert-butylamino)-oxomethyl]phenyl]thio]-3-hydroxy-1-phenylbutan-2-yl]-2-[[(5-hydroxy-2-pyridinyl)-oxomethyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]sulfanyl-3-hydroxy-1-phenylbutan-2-yl]-2-[(5-hydroxypyridine-2-carbonyl)amino]butanediamide Traditional Name: (2S)-N-[(1S,2R)-1-benzyl-3-[[2-(tert-butylcarbamoyl)phenyl]thio]-2-hydroxy-propyl]-2-[(5-hydroxypicolinoyl)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=NC=C(C=C3)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=NC=C(C=C3)O)O

InChI

InChI=1S/C31H37N5O6S/c1-31(2,3)36-28(40)21-11-7-8-12-26(21)43-18-25(38)23(15-19-9-5-4-6-10-19)34-30(42)24(16-27(32)39)35-29(41)22-14-13-20(37)17-33-22/h4-14,17,23-25,37-38H,15-16,18H2,1-3H3,(H2,32,39)(H,34,42)(H,35,41)(H,36,40)/t23-,24-,25-/m0/s1