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-methylsulfanyl-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-methylsulfanyl-butanamide Openeye Name: 2-amino-N-[5-cyclohexyl-3-ethylsulfonyl-2,3-dihydroxy-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]-4-methylsulfanyl-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-(methylthio)butanamide 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-methylsulfanylbutanamide Traditional Name: 2-amino-N-[5-cyclohexyl-3-esyl-2,3-dihydroxy-1-[2-methyl-3-(1-naphthyl)propanoyl]-1-morpholino-pentyl]-4-(methylthio)butyramide Formula: C36H55N3O7S2 MolecularWeight: 705.9678

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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(CCSC)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(CCSC)N)N4CCOCC4)O)O

InChI

InChI=1S/C36H55N3O7S2/c1-4-48(44,45)35(43,19-17-27-11-6-5-7-12-27)34(42)36(39-20-22-46-23-21-39,38-33(41)31(37)18-24-47-3)32(40)26(2)25-29-15-10-14-28-13-8-9-16-30(28)29/h8-10,13-16,26-27,31,34,42-43H,4-7,11-12,17-25,37H2,1-3H3,(H,38,41)