methyl (2R)-2-azanyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-propanoate

Systemtic Name: methyl (2R)-2-azanyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-propanoate Openeye Name: methyl (2R)-2-amino-3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-propanoate CAS Name: (2R)-2-amino-3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropanoate Traditional Name: (2R)-2-amino-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propionic acid methyl ester Formula: C18H29NO3S MolecularWeight: 339.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(C(=O)OC)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC[C@@H](C(=O)OC)N

InChI

InChI=1S/C18H29NO3S/c1-17(2,3)12-8-11(23-10-14(19)16(21)22-7)9-13(15(12)20)18(4,5)6/h8-9,14,20H,10,19H2,1-7H3/t14-/m0/s1