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

Systemtic Name: 2-azanyl-N-[8-cyclohexyl-6-ethylsulfonyl-2-methyl-4-morpholin-4-yl-5,6-bis(oxidanyl)-3-oxidanylidene-1-quinolin-8-yl-octan-4-yl]hexanamide Openeye Name: 2-amino-N-[5-cyclohexyl-3-ethylsulfonyl-2,3-dihydroxy-1-[2-methyl-3-(8-quinolyl)propanoyl]-1-morpholino-pentyl]hexanamide CAS Name: 2-amino-N-[8-cyclohexyl-6-ethylsulfonyl-5,6-dihydroxy-2-methyl-4-(4-morpholinyl)-3-oxo-1-(8-quinolinyl)octan-4-yl]hexanamide IUPAC Name: 2-amino-N-(8-cyclohexyl-6-ethylsulfonyl-5,6-dihydroxy-2-methyl-4-morpholin-4-yl-3-oxo-1-quinolin-8-yloctan-4-yl)hexanamide Traditional Name: 2-amino-N-[5-cyclohexyl-3-esyl-2,3-dihydroxy-1-[2-methyl-3-(8-quinolyl)propanoyl]-1-morpholino-pentyl]hexanamide Formula: C36H56N4O7S MolecularWeight: 688.91744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(C(C(CCC1CCCCC1)(O)S(=O)(=O)CC)O)(C(=O)C(C)CC2=CC=CC3=C2N=CC=C3)N4CCOCC4)N

Isomeric SMILES

CCCCC(C(=O)NC(C(C(CCC1CCCCC1)(O)S(=O)(=O)CC)O)(C(=O)C(C)CC2=CC=CC3=C2N=CC=C3)N4CCOCC4)N

InChI

InChI=1S/C36H56N4O7S/c1-4-6-17-30(37)33(42)39-36(40-21-23-47-24-22-40,32(41)26(3)25-29-15-10-14-28-16-11-20-38-31(28)29)34(43)35(44,48(45,46)5-2)19-18-27-12-8-7-9-13-27/h10-11,14-16,20,26-27,30,34,43-44H,4-9,12-13,17-19,21-25,37H2,1-3H3,(H,39,42)