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#(S,S)-21;(2S)-2-[[(2S)-2-[[4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-4-(ETHOXYCARBONYL)-BUTANOYL]-AMINO]-P

Compound with spectra: 1 NMR

#(S,S)-21;(2S)-2-[[(2S)-2-[[4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-4-(ETHOXYCARBONYL)-BUTANOYL]-AMINO]-P
SpectraBase Compound ID 6JEKzRo8Uit
InChI InChI=1S/C31H40N6O9/c1-4-44-23(38)15-13-21(28(41)35-22(30(43)46-6-3)14-16-24(39)45-5-2)34-27(40)19-10-7-18(8-11-19)9-12-20-17-33-26-25(20)29(42)37-31(32)36-26/h7-8,10-11,17,21-22H,4-6,9,12-16H2,1-3H3,(H,34,40)(H,35,41)(H4,32,33,36,37,42)/t21-,22-/m0/s1
InChIKey GSVGFWRBBIDVHO-VXKWHMMOSA-N
Mol Weight 640.7 g/mol
Molecular Formula C31H40N6O9
Exact Mass 640.285677 g/mol
Enantiomer InChIKey GSVGFWRBBIDVHO-FGZHOGPDSA-N

View Spectrum of #(S,S)-21;(2S)-2-[[(2S)-2-[[4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-4-(ETHOXYCARBONYL)-BUTANOYL]-AMINO]-P

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
#(S,R)-21;(2S)-2-[[(2R)-2-[[4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-4-(ETHOXYCARBONYL)-BUTANOYL]-AMINO]-P
#19A;(2S)-2-[[(4S)-4-[[4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-4-(ETHOXYCARBONYL)-BUTANOYL]-AMINO]-PENTAN
(2S)-2-[[4-[2-(2-AMINO-1-METHYL-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-PENTANEDIOIC-ACID-DIETHYLESTER
D5-benzoyl-glu-ome-N-ethoxycarbonyl-his
2-HYDROXY-5-(5-NITRO-1H-IMIDAZOL-2-YL)-BENZOYL-ISOLEUCYL-TYROSINE-METHYLESTER
p-Dimethylaminobenzoylleucyltryptophylleucyl ethyl ester
N-METHYLSANSALVAMIDE
2-Amino-7-(2-deoxy-B-D-erythro-pentafuranosyl)-3,7-dihydro-pyrrolo(2,3-D)pyrimidin-4-one
2-AMINO-7-(2-DEOXY-BETA-D-THREO-PENTOFURANOSYL)-7H-PYRROLO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-TERT.-BUTYLTHIO-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER
Title Journal or Book Year
Synthesis and Physicochemical Characterization of the Impurities of Pemetrexed Disodium, an Anticancer Drug Molecules 2015
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