(2R,4S,5S,7S)-5-azanyl-N-butyl-7-[[4-methoxy-3-(methylsulfonylmethoxy)phenyl]methyl]-2,8-dimethyl-4-oxidanyl-nonanamide

Systemtic Name: (2R,4S,5S,7S)-5-azanyl-N-butyl-7-[[4-methoxy-3-(methylsulfonylmethoxy)phenyl]methyl]-2,8-dimethyl-4-oxidanyl-nonanamide Openeye Name: (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[[4-methoxy-3-(methylsulfonylmethoxy)phenyl]methyl]-2,8-dimethyl-nonanamide CAS Name: (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[[4-methoxy-3-(methylsulfonylmethoxy)phenyl]methyl]-2,8-dimethylnonanamide IUPAC Name: (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[[4-methoxy-3-(methylsulfonylmethoxy)phenyl]methyl]-2,8-dimethylnonanamide Traditional Name: (2R,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-[3-(mesylmethoxy)-4-methoxy-benzyl]-2,8-dimethyl-pelargonamide Formula: C25H44N2O6S MolecularWeight: 500.69166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(CC1=CC(=C(C=C1)OC)OCS(=O)(=O)C)C(C)C)N)O

Isomeric SMILES

CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](CC1=CC(=C(C=C1)OC)OCS(=O)(=O)C)C(C)C)N)O

InChI

InChI=1S/C25H44N2O6S/c1-7-8-11-27-25(29)18(4)12-22(28)21(26)15-20(17(2)3)13-19-9-10-23(32-5)24(14-19)33-16-34(6,30)31/h9-10,14,17-18,20-22,28H,7-8,11-13,15-16,26H2,1-6H3,(H,27,29)/t18-,20+,21+,22+/m1/s1