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(2S)-2-[[(2R)-2-[[(2S)-2-amino-1-oxopropyl]-methylamino]-3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]propanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S)-2-[[(2R)-2-[[(2S)-2-amino-1-oxopropyl]-methylamino]-3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]propanoic acid methyl ester
SpectraBase Compound ID 93QZWTrnvS9
InChI InChI=1S/C18H26BrN3O5/c1-10(20)17(24)22(3)14(16(23)21-11(2)18(25)27-5)9-12-6-7-15(26-4)13(19)8-12/h6-8,10-11,14H,9,20H2,1-5H3,(H,21,23)/t10-,11-,14?/m0/s1
InChIKey HDYNUUSBTATIDI-RFMBEDMFSA-N
Mol Weight 444.33 g/mol
Molecular Formula C18H26BrN3O5
Exact Mass 443.105584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgUD0E1fY1Z
Name (2S)-2-[[(2R)-2-[[(2S)-2-amino-1-oxopropyl]-methylamino]-3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]propanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26BrN3O5
InChI InChI=1S/C18H26BrN3O5/c1-10(20)17(24)22(3)14(16(23)21-11(2)18(25)27-5)9-12-6-7-15(26-4)13(19)8-12/h6-8,10-11,14H,9,20H2,1-5H3,(H,21,23)/t10-,11-,14?/m0/s1
InChIKey HDYNUUSBTATIDI-RFMBEDMFSA-N
Molecular Weight 444.326 g/mol
SMILES N[C@](C(N(C(C(N[C@](C(=O)OC)(C)[H])=O)Cc1cc(Br)c(cc1)OC)C)=O)(C)[H]
SPLASH splash10-0006-9332500000-423657e1defffa5b9f8d
Source of Spectrum Y1-36-565-10
Synonyms (2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]-methyl-amino]-3-(3-bromo-4-methoxy-phenyl)propanoyl]amino]propionic acid methyl ester Methyl (2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]-methyl-amino]-3-(3-bromo-4-methoxy-phenyl)propanoyl]amino]propanoate Methyl (2S)-2-[[(2R)-2-[[(2S)-2-azanylpropanoyl]-methyl-amino]-3-(3-bromanyl-4-methoxy-phenyl)propanoyl]amino]propanoate
Wiley ID 1527113