N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-oxidanyl-5-oxidanylidene-pentan-2-yl]-2-[[2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]-6-(methylcarbamothioylamino)hexanamide

Systemtic Name: N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-oxidanyl-5-oxidanylidene-pentan-2-yl]-2-[[2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]-6-(methylcarbamothioylamino)hexanamide Openeye Name: N-[1-(cyclohexylmethyl)-2-hydroxy-4-(2-morpholinoethylamino)-4-oxo-butyl]-2-[[2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]-6-(methylcarbamothioylamino)hexanamide CAS Name: N-[1-cyclohexyl-3-hydroxy-5-[2-(4-morpholinyl)ethylamino]-5-oxopentan-2-yl]-2-[[2-(dimethylsulfamoylamino)-1-oxo-3-phenylpropyl]amino]-6-[[methylamino(sulfanylidene)methyl]amino]hexanamide IUPAC Name: N-[1-cyclohexyl-3-hydroxy-5-(2-morpholin-4-ylethylamino)-5-oxopentan-2-yl]-2-[[2-(dimethylsulfamoylamino)-3-phenylpropanoyl]amino]-6-(methylcarbamothioylamino)hexanamide Traditional Name: N-[1-(cyclohexylmethyl)-2-hydroxy-4-keto-4-(2-morpholinoethylamino)butyl]-2-[[2-(dimethylsulfamoylamino)-3-phenyl-propanoyl]amino]-6-(methylthiocarbamoylamino)hexanamide Formula: C36H62N8O7S2 MolecularWeight: 783.05688

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCCCC(C(=O)NC(CC1CCCCC1)C(CC(=O)NCCN2CCOCC2)O)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)N(C)C

Isomeric SMILES

CNC(=S)NCCCCC(C(=O)NC(CC1CCCCC1)C(CC(=O)NCCN2CCOCC2)O)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)N(C)C

InChI

InChI=1S/C36H62N8O7S2/c1-37-36(52)39-17-11-10-16-29(40-35(48)31(42-53(49,50)43(2)3)25-28-14-8-5-9-15-28)34(47)41-30(24-27-12-6-4-7-13-27)32(45)26-33(46)38-18-19-44-20-22-51-23-21-44/h5,8-9,14-15,27,29-32,42,45H,4,6-7,10-13,16-26H2,1-3H3,(H,38,46)(H,40,48)(H,41,47)(H2,37,39,52)