N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(3-methylbutylsulfonylmethyl)butanediamide

Systemtic Name: N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-(3-methylbutylsulfonylmethyl)butanediamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-2-(isopentylsulfonylmethyl)butanediamide CAS Name: N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-2-(3-methylbutylsulfonylmethyl)butanediamide IUPAC Name: N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-2-(3-methylbutylsulfonylmethyl)butanediamide Traditional Name: N-[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]-2-(isoamylsulfonylmethyl)succinamide Formula: C28H41N3O6S MolecularWeight: 547.70664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)CC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(CNCC2=CC(=CC=C2)OC)O

Isomeric SMILES

CC(C)CCS(=O)(=O)CC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(CNCC2=CC(=CC=C2)OC)O

InChI

InChI=1S/C28H41N3O6S/c1-20(2)12-13-38(35,36)19-23(16-27(29)33)28(34)31-25(15-21-8-5-4-6-9-21)26(32)18-30-17-22-10-7-11-24(14-22)37-3/h4-11,14,20,23,25-26,30,32H,12-13,15-19H2,1-3H3,(H2,29,33)(H,31,34)