methyl (2S)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate Openeye Name: methyl (2S)-3-(3-bromo-4-hydroxy-phenyl)-2-[tert-butoxycarbonyl(methyl)amino]propanoate CAS Name: (2S)-3-(3-bromo-4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-bromo-4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate Traditional Name: (2S)-3-(3-bromo-4-hydroxy-phenyl)-2-[tert-butoxycarbonyl(methyl)amino]propionic acid methyl ester Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrNO5/c1-16(2,3)23-15(21)18(4)12(14(20)22-5)9-10-6-7-13(19)11(17)8-10/h6-8,12,19H,9H2,1-5H3/t12-/m0/s1