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

Systemtic Name: 2-azanyl-N-[8-cyclohexyl-2-methyl-4-morpholin-4-yl-1-naphthalen-1-yl-5,6-bis(oxidanyl)-3-oxidanylidene-6-propan-2-ylsulfinyl-octan-4-yl]-3-(1H-imidazol-5-yl)propanamide Openeye Name: 2-amino-N-[5-cyclohexyl-2,3-dihydroxy-3-isopropylsulfinyl-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]-3-(1H-imidazol-5-yl)propanamide CAS Name: 2-amino-N-[8-cyclohexyl-5,6-dihydroxy-2-methyl-4-(4-morpholinyl)-1-(1-naphthalenyl)-3-oxo-6-propan-2-ylsulfinyloctan-4-yl]-3-(1H-imidazol-5-yl)propanamide IUPAC Name: 2-amino-N-(8-cyclohexyl-5,6-dihydroxy-2-methyl-4-morpholin-4-yl-1-naphthalen-1-yl-3-oxo-6-propan-2-ylsulfinyloctan-4-yl)-3-(1H-imidazol-5-yl)propanamide Traditional Name: 2-amino-N-[5-cyclohexyl-2,3-dihydroxy-3-isopropylsulfinyl-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]-3-(1H-imidazol-5-yl)propionamide Formula: C38H55N5O6S MolecularWeight: 709.9382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=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

CC(C)S(=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/C38H55N5O6S/c1-26(2)50(48)37(47,17-16-28-10-5-4-6-11-28)36(46)38(43-18-20-49-21-19-43,42-35(45)33(39)23-31-24-40-25-41-31)34(44)27(3)22-30-14-9-13-29-12-7-8-15-32(29)30/h7-9,12-15,24-28,33,36,46-47H,4-6,10-11,16-23,39H2,1-3H3,(H,40,41)(H,42,45)