tert-butyl (2S)-2-azanyl-3-[4-methoxy-3-methyl-5-(4-methylphenyl)sulfonyloxy-phenyl]propanoate

Systemtic Name: tert-butyl (2S)-2-azanyl-3-[4-methoxy-3-methyl-5-(4-methylphenyl)sulfonyloxy-phenyl]propanoate Openeye Name: tert-butyl (2S)-2-amino-3-[4-methoxy-3-methyl-5-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: (2S)-2-amino-3-[4-methoxy-3-methyl-5-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-amino-3-[4-methoxy-3-methyl-5-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: (2S)-2-amino-3-(4-methoxy-3-methyl-5-tosyloxy-phenyl)propionic acid tert-butyl ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)C)CC(C(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC(=C2OC)C)C[C@@H](C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H29NO6S/c1-14-7-9-17(10-8-14)30(25,26)29-19-13-16(11-15(2)20(19)27-6)12-18(23)21(24)28-22(3,4)5/h7-11,13,18H,12,23H2,1-6H3/t18-/m0/s1