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N(2),N(2)-Dimethyl-L-phenylalanyl)-L-tryptophan benzyl ester

View entire compound with spectra: 1 MS (GC)

N(2),N(2)-Dimethyl-L-phenylalanyl)-L-tryptophan benzyl ester
SpectraBase Compound ID 9sY3lhZWw1r
InChI InChI=1S/C29H31N3O3/c1-32(2)27(17-21-11-5-3-6-12-21)28(33)31-26(29(34)35-20-22-13-7-4-8-14-22)19-24-18-23-15-9-10-16-25(23)30-24/h3-16,18,26-27,30H,17,19-20H2,1-2H3,(H,31,33)/t26-,27-/m0/s1
InChIKey KGLVWGOEDYOEMV-SVBPBHIXSA-N
Mol Weight 469.59 g/mol
Molecular Formula C29H31N3O3
Exact Mass 469.236542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YrtEbAUdmf
Name N(2),N(2)-Dimethyl-L-phenylalanyl)-L-tryptophan benzyl ester
Alternate Name(s) benzyl (2S)-2-{[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino}-3-(1H-indol-2-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31N3O3
InChI InChI=1S/C29H31N3O3/c1-32(2)27(17-21-11-5-3-6-12-21)28(33)31-26(29(34)35-20-22-13-7-4-8-14-22)19-24-18-23-15-9-10-16-25(23)30-24/h3-16,18,26-27,30H,17,19-20H2,1-2H3,(H,31,33)/t26-,27-/m0/s1
InChIKey KGLVWGOEDYOEMV-SVBPBHIXSA-N
Molecular Weight 469.585 g/mol
SMILES [nH]1c2ccccc2cc1C[C@](NC([C@@](N(C)C)(Cc1ccccc1)[H])=O)(C(OCc1ccccc1)=O)[H]
SPLASH splash10-0002-0900000000-dec529c7e3c3bfd7c043
Source of Spectrum H-77-2006-13
Wiley ID 1392670