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(2R)-3-(2-bromanyl-1H-indol-3-yl)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid

View entire compound with spectra: 1 MS (GC)

(2R)-3-(2-bromanyl-1H-indol-3-yl)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
SpectraBase Compound ID B67SOhOvFn6
InChI InChI=1S/C20H26BrN3O5/c1-11(22-19(28)29-20(2,3)4)17(25)24(5)15(18(26)27)10-13-12-8-6-7-9-14(12)23-16(13)21/h6-9,11,15,23H,10H2,1-5H3,(H,22,28)(H,26,27)/t11-,15+/m0/s1
InChIKey RYPPRCFTFSICQM-XHDPSFHLSA-N
Mol Weight 468.35 g/mol
Molecular Formula C20H26BrN3O5
Exact Mass 467.105584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8frYSEzyCye
Name (2R)-3-(2-bromanyl-1H-indol-3-yl)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26BrN3O5
InChI InChI=1S/C20H26BrN3O5/c1-11(22-19(28)29-20(2,3)4)17(25)24(5)15(18(26)27)10-13-12-8-6-7-9-14(12)23-16(13)21/h6-9,11,15,23H,10H2,1-5H3,(H,22,28)(H,26,27)/t11-,15+/m0/s1
InChIKey RYPPRCFTFSICQM-XHDPSFHLSA-N
Molecular Weight 468.348 g/mol
SMILES [nH]1c2c(c(C[C@](C(=O)O)(N(C([C@@](NC(OC(C)(C)C)=O)(C)[H])=O)C)[H])c1Br)cccc2
SPLASH splash10-0k92-0032900000-7880db638e0bb039c1c9
Source of Spectrum SO-0-205-48
Synonyms (2R)-3-(2-bromo-1H-indol-3-yl)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid (2R)-3-(2-bromo-1H-indol-3-yl)-2-[methyl-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid (2R)-3-(2-bromo-1H-indol-3-yl)-2-[[(2S)-2-(tert-butoxycarbonylamino)propanoyl]-methyl-amino]propionic acid
Wiley ID 872962