2-[5-(2-azanylhexanoylamino)-1-cyclohexyl-7-methyl-5-morpholin-4-yl-8-naphthalen-1-yl-3,4-bis(oxidanyl)-6-oxidanylidene-octan-4-yl]sulfonylethyl ethanoate

Systemtic Name: 2-[5-(2-azanylhexanoylamino)-1-cyclohexyl-7-methyl-5-morpholin-4-yl-8-naphthalen-1-yl-3,4-bis(oxidanyl)-6-oxidanylidene-octan-4-yl]sulfonylethyl ethanoate Openeye Name: 2-[2-(2-aminohexanoylamino)-1-(3-cyclohexyl-1-hydroxy-propyl)-1-hydroxy-4-methyl-2-morpholino-5-(1-naphthyl)-3-oxo-pentyl]sulfonylethyl acetate CAS Name: acetic acid 2-[5-[(2-amino-1-oxohexyl)amino]-1-cyclohexyl-3,4-dihydroxy-7-methyl-5-(4-morpholinyl)-8-(1-naphthalenyl)-6-oxooctan-4-yl]sulfonylethyl ester IUPAC Name: 2-[5-(2-aminohexanoylamino)-1-cyclohexyl-3,4-dihydroxy-7-methyl-5-morpholin-4-yl-8-naphthalen-1-yl-6-oxooctan-4-yl]sulfonylethyl acetate Traditional Name: acetic acid 2-[2-(2-aminohexanoylamino)-1-(3-cyclohexyl-1-hydroxy-propyl)-1-hydroxy-3-keto-4-methyl-2-morpholino-5-(1-naphthyl)pentyl]sulfonylethyl ester Formula: C39H59N3O9S MolecularWeight: 745.96546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C(=O)C(C)CC1=CC=CC2=CC=CC=C21)(C(C(CCC3CCCCC3)O)(O)S(=O)(=O)CCOC(=O)C)N4CCOCC4)N

Isomeric SMILES

CCCCC(C(=O)NC(C(=O)C(C)CC1=CC=CC2=CC=CC=C21)(C(C(CCC3CCCCC3)O)(O)S(=O)(=O)CCOC(=O)C)N4CCOCC4)N

InChI

InChI=1S/C39H59N3O9S/c1-4-5-18-34(40)37(46)41-38(42-21-23-50-24-22-42,36(45)28(2)27-32-16-11-15-31-14-9-10-17-33(31)32)39(47,52(48,49)26-25-51-29(3)43)35(44)20-19-30-12-7-6-8-13-30/h9-11,14-17,28,30,34-35,44,47H,4-8,12-13,18-27,40H2,1-3H3,(H,41,46)