5,7-bis(azanyl)-4-(3-cyclohexyl-1-oxidanyl-propyl)-1-ethylsulfonyl-9-methylsulfanyl-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxidanyl-nonane-3,6-dione

Systemtic Name: 5,7-bis(azanyl)-4-(3-cyclohexyl-1-oxidanyl-propyl)-1-ethylsulfonyl-9-methylsulfanyl-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxidanyl-nonane-3,6-dione Openeye Name: 5,7-diamino-4-(3-cyclohexyl-1-hydroxy-propyl)-1-ethylsulfonyl-4-hydroxy-9-methylsulfanyl-5-morpholino-2-(1-naphthylmethyl)nonane-3,6-dione CAS Name: 5,7-diamino-4-(3-cyclohexyl-1-hydroxypropyl)-1-ethylsulfonyl-4-hydroxy-9-(methylthio)-5-(4-morpholinyl)-2-(1-naphthalenylmethyl)nonane-3,6-dione IUPAC Name: 5,7-diamino-4-(3-cyclohexyl-1-hydroxypropyl)-1-ethylsulfonyl-4-hydroxy-9-methylsulfanyl-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)nonane-3,6-dione Traditional Name: 5,7-diamino-4-(3-cyclohexyl-1-hydroxy-propyl)-1-esyl-4-hydroxy-9-(methylthio)-5-morpholino-2-(1-naphthylmethyl)nonane-3,6-dione Formula: C36H55N3O7S2 MolecularWeight: 705.9678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CC(CC1=CC=CC2=CC=CC=C21)C(=O)C(C(CCC3CCCCC3)O)(C(C(=O)C(CCSC)N)(N)N4CCOCC4)O

Isomeric SMILES

CCS(=O)(=O)CC(CC1=CC=CC2=CC=CC=C21)C(=O)C(C(CCC3CCCCC3)O)(C(C(=O)C(CCSC)N)(N)N4CCOCC4)O

InChI

InChI=1S/C36H55N3O7S2/c1-3-48(44,45)25-29(24-28-14-9-13-27-12-7-8-15-30(27)28)33(41)35(43,32(40)17-16-26-10-5-4-6-11-26)36(38,39-19-21-46-22-20-39)34(42)31(37)18-23-47-2/h7-9,12-15,26,29,31-32,40,43H,3-6,10-11,16-25,37-38H2,1-2H3