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]-4-oxidanyl-butanamide

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]-4-oxidanyl-butanamide Openeye Name: 2-amino-N-[5-cyclohexyl-3-ethylsulfonyl-2,3-dihydroxy-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]-4-hydroxy-butanamide CAS Name: 2-amino-N-[8-cyclohexyl-6-ethylsulfonyl-5,6-dihydroxy-2-methyl-4-(4-morpholinyl)-1-(1-naphthalenyl)-3-oxooctan-4-yl]-4-hydroxybutanamide 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)-4-hydroxybutanamide Traditional Name: 2-amino-N-[5-cyclohexyl-3-esyl-2,3-dihydroxy-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]-4-hydroxy-butyramide Formula: C35H53N3O8S MolecularWeight: 675.87562

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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(CCO)N)N4CCOCC4)O)O

Isomeric SMILES

CCS(=O)(=O)C(CCC1CCCCC1)(C(C(C(=O)C(C)CC2=CC=CC3=CC=CC=C32)(NC(=O)C(CCO)N)N4CCOCC4)O)O

InChI

InChI=1S/C35H53N3O8S/c1-3-47(44,45)34(43,18-16-26-10-5-4-6-11-26)33(42)35(38-19-22-46-23-20-38,37-32(41)30(36)17-21-39)31(40)25(2)24-28-14-9-13-27-12-7-8-15-29(27)28/h7-9,12-15,25-26,30,33,39,42-43H,3-6,10-11,16-24,36H2,1-2H3,(H,37,41)