3-[3-[[2-(1-benzofuran-2-ylcarbonylamino)-3-methylsulfonyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide

Systemtic Name: 3-[3-[[2-(1-benzofuran-2-ylcarbonylamino)-3-methylsulfonyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide Openeye Name: 3-[3-[[2-(benzofuran-2-carbonylamino)-3-methylsulfonyl-propanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-tert-butyl-thiazolidine-4-carboxamide CAS Name: 3-[3-[[2-[[2-benzofuranyl(oxo)methyl]amino]-3-methylsulfonyl-1-oxopropyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-tert-butyl-4-thiazolidinecarboxamide IUPAC Name: 3-[3-[[2-(1-benzofuran-2-carbonylamino)-3-methylsulfonylpropanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide Traditional Name: 3-[3-[[2-(benzofuran-2-carbonylamino)-3-mesyl-propanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-tert-butyl-thiazolidine-4-carboxamide Formula: C31H38N4O8S2 MolecularWeight: 658.78542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CS(=O)(=O)C)NC(=O)C3=CC4=CC=CC=C4O3)O

Isomeric SMILES

CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CS(=O)(=O)C)NC(=O)C3=CC4=CC=CC=C4O3)O

InChI

InChI=1S/C31H38N4O8S2/c1-31(2,3)34-28(38)23-16-44-18-35(23)30(40)26(36)21(14-19-10-6-5-7-11-19)32-27(37)22(17-45(4,41)42)33-29(39)25-15-20-12-8-9-13-24(20)43-25/h5-13,15,21-23,26,36H,14,16-18H2,1-4H3,(H,32,37)(H,33,39)(H,34,38)