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DNP-valyl-(DNP)-tyrosyl-proline methyl ester
SpectraBase Compound ID 2aFRkgWPC08
InChI InChI=1S/C32H33N7O13/c1-18(2)29(33-23-12-8-20(36(44)45)16-26(23)38(48)49)31(42)35(24-13-9-21(37(46)47)17-27(24)39(50)51)28(15-19-6-10-22(40)11-7-19)30(41)34-14-4-5-25(34)32(43)52-3/h6-13,16-18,25,28-29,33,40H,4-5,14-15H2,1-3H3/t25-,28-,29-/m0/s1
InChIKey LGGRZSHDOQUZKE-FMYROPPKSA-N
Mol Weight 723.7 g/mol
Molecular Formula C32H33N7O13
Exact Mass 723.213634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dzol1DSuUlB
Name DNP-valyl-(DNP)-tyrosyl-proline methyl ester
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Formula C32H33N7O13
InChI InChI=1S/C32H33N7O13/c1-18(2)29(33-23-12-8-20(36(44)45)16-26(23)38(48)49)31(42)35(24-13-9-21(37(46)47)17-27(24)39(50)51)28(15-19-6-10-22(40)11-7-19)30(41)34-14-4-5-25(34)32(43)52-3/h6-13,16-18,25,28-29,33,40H,4-5,14-15H2,1-3H3/t25-,28-,29-/m0/s1
InChIKey LGGRZSHDOQUZKE-FMYROPPKSA-N
Molecular Weight 723.652 g/mol
SMILES N([C@](C(N([C@@](Cc1ccc(cc1)O)(C(N1[C@](C(=O)OC)(CCC1)[H])=O)[H])c1c(N(=O)=O)cc(N(=O)=O)cc1)=O)(C(C)C)[H])c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH splash10-0006-0207910100-54d743417f1eeffb314a
Source of Spectrum DJ-85-882-2
Synonyms Methyl (2S)-1-[(2S)-2-{[(2S)-2-(2,4-dinitroanilino)-3-methylbutanoyl]-2,4-dinitroanilino}-3-(4-hydroxyphenyl)propanoyl]-2-pyrrolidinecarboxylate
Wiley ID 1415714