2-[5-(2-azanylhexanoylamino)-1-cyclohexyl-7-methyl-5-morpholin-4-yl-8-naphthalen-1-yl-3,4-bis(oxidanyl)-6-oxidanylidene-octan-3-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-3-yl]sulfonylethyl ethanoate Openeye Name: 2-[3-(2-aminohexanoylamino)-1-(2-cyclohexylethyl)-1,2-dihydroxy-5-methyl-3-morpholino-6-(1-naphthyl)-4-oxo-hexyl]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-3-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-3-yl]sulfonylethyl acetate Traditional Name: acetic acid 2-[3-(2-aminohexanoylamino)-1-(2-cyclohexylethyl)-1,2-dihydroxy-4-keto-5-methyl-3-morpholino-6-(1-naphthyl)hexyl]sulfonylethyl ester Formula: C39H59N3O9S MolecularWeight: 745.96546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C(C(CCC1CCCCC1)(O)S(=O)(=O)CCOC(=O)C)O)(C(=O)C(C)CC2=CC=CC3=CC=CC=C32)N4CCOCC4)N

Isomeric SMILES

CCCCC(C(=O)NC(C(C(CCC1CCCCC1)(O)S(=O)(=O)CCOC(=O)C)O)(C(=O)C(C)CC2=CC=CC3=CC=CC=C32)N4CCOCC4)N

InChI

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