2-azanyl-N-[8-cyclohexyl-4-morpholin-4-yl-5-(naphthalen-1-ylmethyl)-5,6-bis(oxidanyl)-1-pyrimidin-2-yl-3-sulfanylidene-octan-4-yl]hexanamide

Systemtic Name: 2-azanyl-N-[8-cyclohexyl-4-morpholin-4-yl-5-(naphthalen-1-ylmethyl)-5,6-bis(oxidanyl)-1-pyrimidin-2-yl-3-sulfanylidene-octan-4-yl]hexanamide Openeye Name: 2-amino-N-[5-cyclohexyl-2,3-dihydroxy-1-morpholino-2-(1-naphthylmethyl)-1-(3-pyrimidin-2-ylpropanethioyl)pentyl]hexanamide CAS Name: 2-amino-N-[8-cyclohexyl-5,6-dihydroxy-4-(4-morpholinyl)-5-(1-naphthalenylmethyl)-1-(2-pyrimidinyl)-3-sulfanylideneoctan-4-yl]hexanamide IUPAC Name: 2-amino-N-[8-cyclohexyl-5,6-dihydroxy-4-morpholin-4-yl-5-(naphthalen-1-ylmethyl)-1-pyrimidin-2-yl-3-sulfanylideneoctan-4-yl]hexanamide Traditional Name: 2-amino-N-[5-cyclohexyl-2,3-dihydroxy-1-morpholino-2-(1-naphthylmethyl)-1-[3-(2-pyrimidyl)propanethioyl]pentyl]hexanamide Formula: C39H55N5O4S MolecularWeight: 689.9501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C(=S)CCC1=NC=CC=N1)(C(CC2=CC=CC3=CC=CC=C32)(C(CCC4CCCCC4)O)O)N5CCOCC5)N

Isomeric SMILES

CCCCC(C(=O)NC(C(=S)CCC1=NC=CC=N1)(C(CC2=CC=CC3=CC=CC=C32)(C(CCC4CCCCC4)O)O)N5CCOCC5)N

InChI

InChI=1S/C39H55N5O4S/c1-2-3-17-33(40)37(46)43-39(44-24-26-48-27-25-44,35(49)20-21-36-41-22-10-23-42-36)38(47,34(45)19-18-29-11-5-4-6-12-29)28-31-15-9-14-30-13-7-8-16-32(30)31/h7-10,13-16,22-23,29,33-34,45,47H,2-6,11-12,17-21,24-28,40H2,1H3,(H,43,46)