2-azanyl-N-[8-cyclohexyl-6-(4-hydroxyphenyl)sulfinyl-2-methyl-4-morpholin-4-yl-1-naphthalen-1-yl-5,6-bis(oxidanyl)-3-oxidanylidene-octan-4-yl]hexanamide

Systemtic Name: 2-azanyl-N-[8-cyclohexyl-6-(4-hydroxyphenyl)sulfinyl-2-methyl-4-morpholin-4-yl-1-naphthalen-1-yl-5,6-bis(oxidanyl)-3-oxidanylidene-octan-4-yl]hexanamide Openeye Name: 2-amino-N-[5-cyclohexyl-2,3-dihydroxy-3-(4-hydroxyphenyl)sulfinyl-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]hexanamide CAS Name: 2-amino-N-[8-cyclohexyl-5,6-dihydroxy-6-(4-hydroxyphenyl)sulfinyl-2-methyl-4-(4-morpholinyl)-1-(1-naphthalenyl)-3-oxooctan-4-yl]hexanamide IUPAC Name: 2-amino-N-[8-cyclohexyl-5,6-dihydroxy-6-(4-hydroxyphenyl)sulfinyl-2-methyl-4-morpholin-4-yl-1-naphthalen-1-yl-3-oxooctan-4-yl]hexanamide Traditional Name: 2-amino-N-[5-cyclohexyl-2,3-dihydroxy-3-(4-hydroxyphenyl)sulfinyl-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]hexanamide Formula: C41H57N3O7S MolecularWeight: 735.97218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C(C(CCC1CCCCC1)(O)S(=O)C2=CC=C(C=C2)O)O)(C(=O)C(C)CC3=CC=CC4=CC=CC=C43)N5CCOCC5)N

Isomeric SMILES

CCCCC(C(=O)NC(C(C(CCC1CCCCC1)(O)S(=O)C2=CC=C(C=C2)O)O)(C(=O)C(C)CC3=CC=CC4=CC=CC=C43)N5CCOCC5)N

InChI

InChI=1S/C41H57N3O7S/c1-3-4-17-36(42)38(47)43-41(44-24-26-51-27-25-44,37(46)29(2)28-32-15-10-14-31-13-8-9-16-35(31)32)39(48)40(49,23-22-30-11-6-5-7-12-30)52(50)34-20-18-33(45)19-21-34/h8-10,13-16,18-21,29-30,36,39,45,48-49H,3-7,11-12,17,22-28,42H2,1-2H3,(H,43,47)