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

Systemtic Name: N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-4-(3-methylbutylsulfonyl)-2-oxidanyl-butanamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-2-hydroxy-4-isopentylsulfonyl-butanamide CAS Name: 2-hydroxy-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-(3-methylbutylsulfonyl)butanamide IUPAC Name: 2-hydroxy-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-(3-methylbutylsulfonyl)butanamide Traditional Name: N-[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]-2-hydroxy-4-isoamylsulfonyl-butyramide Formula: C27H40N2O6S MolecularWeight: 520.6813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O6S/c1-20(2)12-14-36(33,34)15-13-25(30)27(32)29-24(17-21-8-5-4-6-9-21)26(31)19-28-18-22-10-7-11-23(16-22)35-3/h4-11,16,20,24-26,28,30-31H,12-15,17-19H2,1-3H3,(H,29,32)