N-[5-acetamido-6-cyano-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-2-(methylsulfonylamino)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[5-acetamido-6-cyano-3,4-bis(oxidanyl)-1-phenyl-hexan-2-yl]-2-(methylsulfonylamino)-1,3-thiazole-4-carboxamide Openeye Name: N-(4-acetamido-1-benzyl-5-cyano-2,3-dihydroxy-pentyl)-2-(methanesulfonamido)thiazole-4-carboxamide CAS Name: N-(5-acetamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-4-thiazolecarboxamide IUPAC Name: N-(5-acetamido-6-cyano-3,4-dihydroxy-1-phenylhexan-2-yl)-2-(methanesulfonamido)-1,3-thiazole-4-carboxamide Traditional Name: N-(4-acetamido-1-benzyl-5-cyano-2,3-dihydroxy-pentyl)-2-(methanesulfonamido)thiazole-4-carboxamide Formula: C20H25N5O6S2 MolecularWeight: 495.5724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC#N)C(C(C(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)NS(=O)(=O)C)O)O

Isomeric SMILES

CC(=O)NC(CC#N)C(C(C(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)NS(=O)(=O)C)O)O

InChI

InChI=1S/C20H25N5O6S2/c1-12(26)22-14(8-9-21)17(27)18(28)15(10-13-6-4-3-5-7-13)23-19(29)16-11-32-20(24-16)25-33(2,30)31/h3-7,11,14-15,17-18,27-28H,8,10H2,1-2H3,(H,22,26)(H,23,29)(H,24,25)