N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-oxidanyl-5-oxidanylidene-pentan-2-yl]-6-(methylcarbamothioylamino)-2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxidanylidene-butanoyl]amino]hexanamide

Systemtic Name: N-[1-cyclohexyl-5-(2-morpholin-4-ylethylamino)-3-oxidanyl-5-oxidanylidene-pentan-2-yl]-6-(methylcarbamothioylamino)-2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxidanylidene-butanoyl]amino]hexanamide Openeye Name: N-[1-(cyclohexylmethyl)-2-hydroxy-4-(2-morpholinoethylamino)-4-oxo-butyl]-6-(methylcarbamothioylamino)-2-[[4-morpholino-2-(1-naphthylmethyl)-4-oxo-butanoyl]amino]hexanamide CAS Name: N-[1-cyclohexyl-3-hydroxy-5-[2-(4-morpholinyl)ethylamino]-5-oxopentan-2-yl]-6-[[methylamino(sulfanylidene)methyl]amino]-2-[[4-(4-morpholinyl)-2-(1-naphthalenylmethyl)-1,4-dioxobutyl]amino]hexanamide IUPAC Name: N-[1-cyclohexyl-3-hydroxy-5-(2-morpholin-4-ylethylamino)-5-oxopentan-2-yl]-6-(methylcarbamothioylamino)-2-[[4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]hexanamide Traditional Name: N-[1-(cyclohexylmethyl)-2-hydroxy-4-keto-4-(2-morpholinoethylamino)butyl]-2-[[4-keto-4-morpholino-2-(1-naphthylmethyl)butanoyl]amino]-6-(methylthiocarbamoylamino)hexanamide Formula: C44H67N7O7S MolecularWeight: 838.11048

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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=CC4=CC=CC=C43)CC(=O)N5CCOCC5

Isomeric SMILES

CNC(=S)NCCCCC(C(=O)NC(CC1CCCCC1)C(CC(=O)NCCN2CCOCC2)O)NC(=O)C(CC3=CC=CC4=CC=CC=C43)CC(=O)N5CCOCC5

InChI

InChI=1S/C44H67N7O7S/c1-45-44(59)47-17-8-7-16-37(43(56)49-38(28-32-10-3-2-4-11-32)39(52)31-40(53)46-18-19-50-20-24-57-25-21-50)48-42(55)35(30-41(54)51-22-26-58-27-23-51)29-34-14-9-13-33-12-5-6-15-36(33)34/h5-6,9,12-15,32,35,37-39,52H,2-4,7-8,10-11,16-31H2,1H3,(H,46,53)(H,48,55)(H,49,56)(H2,45,47,59)