(2S,3R)-2-bromanyl-N-(tert-butylsulfanylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxidanyl-butanamide

Systemtic Name: (2S,3R)-2-bromanyl-N-(tert-butylsulfanylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxidanyl-butanamide Openeye Name: (2S,3R)-2-bromo-N-(tert-butylsulfanylmethyl)-3-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: (2S,3R)-2-bromo-N-[(tert-butylthio)methyl]-3-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: (2S,3R)-2-bromo-N-(tert-butylsulfanylmethyl)-3-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: (2S,3R)-2-bromo-N-[(tert-butylthio)methyl]-3-hydroxy-N-p-anisyl-butyramide Formula: C17H26BrNO3S MolecularWeight: 404.36224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N(CC1=CC=C(C=C1)OC)CSC(C)(C)C)Br)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N(CC1=CC=C(C=C1)OC)CSC(C)(C)C)Br)O

InChI

InChI=1S/C17H26BrNO3S/c1-12(20)15(18)16(21)19(11-23-17(2,3)4)10-13-6-8-14(22-5)9-7-13/h6-9,12,15,20H,10-11H2,1-5H3/t12-,15+/m1/s1