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(-)-6-Methoxy-N(a)-(benzenesulfonyl)-N(b)-benzyltryptophan Ethyl Ester
SpectraBase Compound ID K0X73glW7nk
InChI InChI=1S/C27H28N2O5S/c1-3-34-27(30)25(28-18-20-10-6-4-7-11-20)16-21-19-29(26-17-22(33-2)14-15-24(21)26)35(31,32)23-12-8-5-9-13-23/h4-15,17,19,25,28H,3,16,18H2,1-2H3/t25-/m1/s1
InChIKey PRGODDQGXUKWEO-RUZDIDTESA-N
Mol Weight 492.59 g/mol
Molecular Formula C27H28N2O5S
Exact Mass 492.171893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjUkm2KmfDb
Name (-)-6-Methoxy-N(a)-(benzenesulfonyl)-N(b)-benzyltryptophan Ethyl Ester
Alternate Name(s) Ethyl 2-(benzylamino)-3-[6-methoxy-1-(phenylsulfonyl)-1H-indol-3-yl]propanoate (2R)-3-[1-(benzenesulfonyl)-6-methoxy-3-indolyl]-2-[(phenylmethyl)amino]propanoic acid ethyl ester Ethyl (2R)-3-[1-(benzenesulfonyl)-6-methoxyindol-3-yl]-2-(benzylamino)propanoate Ethyl (2R)-3-[1-(benzenesulfonyl)-6-methoxy-indol-3-yl]-2-(benzylamino)propanoate Ethyl (2R)-3-[6-methoxy-1-(phenylsulfonyl)indol-3-yl]-2-[(phenylmethyl)amino]propanoate
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Formula C27H28N2O5S
InChI InChI=1S/C27H28N2O5S/c1-3-34-27(30)25(28-18-20-10-6-4-7-11-20)16-21-19-29(26-17-22(33-2)14-15-24(21)26)35(31,32)23-12-8-5-9-13-23/h4-15,17,19,25,28H,3,16,18H2,1-2H3/t25-/m1/s1
InChIKey PRGODDQGXUKWEO-RUZDIDTESA-N
Molecular Weight 492.590 g/mol
SMILES N([C@@](C(=O)OCC)(Cc1c[n](S(=O)(=O)c2ccccc2)c2c1ccc(c2)OC)[H])Cc1ccccc1
SPLASH splash10-01ox-0900000000-e82627588fd38cecfa8b
Source of Spectrum J-62-58-51
Wiley ID 1397552