tert-butyl (3S)-3-azanyl-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoate

Systemtic Name: tert-butyl (3S)-3-azanyl-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoate Openeye Name: tert-butyl (3S)-3-amino-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propanoate CAS Name: (3S)-3-amino-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-amino-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoate Traditional Name: (3S)-3-amino-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propionic acid tert-butyl ester Formula: C13H17BrClNO3 MolecularWeight: 350.63598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC(=CC(=C1O)Br)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrClNO3/c1-13(2,3)19-11(17)6-10(16)8-4-7(15)5-9(14)12(8)18/h4-5,10,18H,6,16H2,1-3H3/t10-/m0/s1