methyl (2S,3S)-3-azanyl-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-hexanoate

Systemtic Name: methyl (2S,3S)-3-azanyl-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-hexanoate Openeye Name: methyl (2S,3S)-3-amino-2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-hexanoate CAS Name: (2S,3S)-3-amino-2-[(4-methoxyphenyl)methylthio]-5-methylhexanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-amino-2-[(4-methoxyphenyl)methylsulfanyl]-5-methylhexanoate Traditional Name: (2S,3S)-3-amino-5-methyl-2-(p-anisylthio)hexanoic acid methyl ester Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)OC)SCC1=CC=C(C=C1)OC)N

Isomeric SMILES

CC(C)C[C@@H]([C@@H](C(=O)OC)SCC1=CC=C(C=C1)OC)N

InChI

InChI=1S/C16H25NO3S/c1-11(2)9-14(17)15(16(18)20-4)21-10-12-5-7-13(19-3)8-6-12/h5-8,11,14-15H,9-10,17H2,1-4H3/t14-,15-/m0/s1