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

Systemtic Name: 2-azanyl-N-[8-cyclohexyl-6-ethylsulfonyl-2-methyl-4-morpholin-4-yl-1-naphthalen-1-yl-5,6-bis(oxidanyl)-3-oxidanylidene-octan-4-yl]-3-(1H-imidazol-5-yl)propanamide Openeye Name: 2-amino-N-[5-cyclohexyl-3-ethylsulfonyl-2,3-dihydroxy-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]-3-(1H-imidazol-5-yl)propanamide CAS Name: 2-amino-N-[8-cyclohexyl-6-ethylsulfonyl-5,6-dihydroxy-2-methyl-4-(4-morpholinyl)-1-(1-naphthalenyl)-3-oxooctan-4-yl]-3-(1H-imidazol-5-yl)propanamide IUPAC Name: 2-amino-N-(8-cyclohexyl-6-ethylsulfonyl-5,6-dihydroxy-2-methyl-4-morpholin-4-yl-1-naphthalen-1-yl-3-oxooctan-4-yl)-3-(1H-imidazol-5-yl)propanamide Traditional Name: 2-amino-N-[5-cyclohexyl-3-esyl-2,3-dihydroxy-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]-3-(1H-imidazol-5-yl)propionamide Formula: C37H53N5O7S MolecularWeight: 711.91102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C(CCC1CCCCC1)(C(C(C(=O)C(C)CC2=CC=CC3=CC=CC=C32)(NC(=O)C(CC4=CN=CN4)N)N5CCOCC5)O)O

Isomeric SMILES

CCS(=O)(=O)C(CCC1CCCCC1)(C(C(C(=O)C(C)CC2=CC=CC3=CC=CC=C32)(NC(=O)C(CC4=CN=CN4)N)N5CCOCC5)O)O

InChI

InChI=1S/C37H53N5O7S/c1-3-50(47,48)36(46,17-16-27-10-5-4-6-11-27)35(45)37(42-18-20-49-21-19-42,41-34(44)32(38)23-30-24-39-25-40-30)33(43)26(2)22-29-14-9-13-28-12-7-8-15-31(28)29/h7-9,12-15,24-27,32,35,45-46H,3-6,10-11,16-23,38H2,1-2H3,(H,39,40)(H,41,44)