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(S)-N-[(R)-N-(3,5-Dinotrobenzoyl)prolyl]valine methyl ester
SpectraBase Compound ID ElTltwEQok
InChI InChI=1S/C18H22N4O8/c1-10(2)15(18(25)30-3)19-16(23)14-5-4-6-20(14)17(24)11-7-12(21(26)27)9-13(8-11)22(28)29/h7-10,14-15H,4-6H2,1-3H3,(H,19,23)/t14-,15+/m1/s1
InChIKey JQCSFICBJGTVNJ-CABCVRRESA-N
Mol Weight 422.39 g/mol
Molecular Formula C18H22N4O8
Exact Mass 422.143764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVHBavpudPh
Name (S)-N-[(R)-N-(3,5-Dinotrobenzoyl)prolyl]valine methyl ester
Alternate Name(s) (S)-2-{[(R)-1-(3,5-Dinitro-benzoyl)-pyrrolidine-2-carbonyl]-amino}-3-methyl-butyric acid methyl ester Methyl (2S)-2-({[1-(3,5-dinitrobenzoyl)-2-pyrrolidinyl]carbonyl}amino)-3-methylbutanoate
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Formula C18H22N4O8
InChI InChI=1S/C18H22N4O8/c1-10(2)15(18(25)30-3)19-16(23)14-5-4-6-20(14)17(24)11-7-12(21(26)27)9-13(8-11)22(28)29/h7-10,14-15H,4-6H2,1-3H3,(H,19,23)/t14-,15+/m1/s1
InChIKey JQCSFICBJGTVNJ-CABCVRRESA-N
Molecular Weight 422.394 g/mol
SMILES N(C([C@@]1(N(C(c2cc(N(=O)=O)cc(N(=O)=O)c2)=O)CCC1)[H])=O)[C@](C(=O)OC)(C(C)C)[H]
SPLASH splash10-002b-4920000000-2b6defe6fabd0a9507f2
Source of Spectrum H-77-2379-17
Wiley ID 1378463