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(R)-4-Bromo-N-carbobenzyloxy-N-methyl-1-tosyltryptophan Methyl Ester
SpectraBase Compound ID EjduWs4C9Wb
InChI InChI=1S/C28H27BrN2O6S/c1-19-12-14-22(15-13-19)38(34,35)31-17-21(26-23(29)10-7-11-24(26)31)16-25(27(32)36-3)30(2)28(33)37-18-20-8-5-4-6-9-20/h4-15,17,25H,16,18H2,1-3H3/t25-/m1/s1
InChIKey GZXOJMCLIYWIDR-RUZDIDTESA-N
Mol Weight 599.5 g/mol
Molecular Formula C28H27BrN2O6S
Exact Mass 598.077321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pbKKyWdELj
Name (R)-4-Bromo-N-carbobenzyloxy-N-methyl-1-tosyltryptophan Methyl Ester
Comments Less than 3 mono-isotopic peaks
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Formula C28H27BrN2O6S
InChI InChI=1S/C28H27BrN2O6S/c1-19-12-14-22(15-13-19)38(34,35)31-17-21(26-23(29)10-7-11-24(26)31)16-25(27(32)36-3)30(2)28(33)37-18-20-8-5-4-6-9-20/h4-15,17,25H,16,18H2,1-3H3/t25-/m1/s1
InChIKey GZXOJMCLIYWIDR-RUZDIDTESA-N
Molecular Weight 599.496 g/mol
SMILES C([C@](N(C)C(=O)OCc1ccccc1)(Cc1c[n](c2cccc(c12)Br)S(=O)(=O)c1ccc(C)cc1)[H])(=O)OC
SPLASH splash10-052b-8000090000-d35f4469c680a9eb0b27
Source of Spectrum O1-65-1459-11
Synonyms methyl (2R)-2-[[(benzyloxy)carbonyl](methyl)amino]-3-{4-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}propanoate
Wiley ID 1593105