(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
Compound with spectra: 1 NMR
![(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](/api/compound/5vcTa1kcmDc.png?ph=true&h=300&w=458 "(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")
| SpectraBase Compound ID | 5vcTa1kcmDc |
|---|---|
| InChI | InChI=1S/C25H31N5O6/c1-4-35-19(31)13-12-18(24(34)36-5-2)28-22(32)16-9-6-15(7-10-16)8-11-17-14-27-21-20(17)23(33)29-25(26)30(21)3/h6-7,9-10,14,18,27H,4-5,8,11-13H2,1-3H3,(H,28,32)(H2,26,29,33)/t18-/m0/s1 |
| InChIKey | JEPWFNMAGSSHNJ-SFHVURJKSA-N |
| Mol Weight | 497.55 g/mol |
| Molecular Formula | C25H31N5O6 |
| Exact Mass | 497.227434 g/mol |
| Enantiomer InChIKey | JEPWFNMAGSSHNJ-GOSISDBHSA-N |
| Racemate InChIKey | JEPWFNMAGSSHNJ-UHFFFAOYSA-N |
| 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
#(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
Dimethyl 4-[3-(2-Pivaloylamino-4(3H)-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-1,1-dimethyl-1-silapropyl]benzoyl-L-glutamate
pyrido[2,3-d]pyrimidin-4(1H)-one, 7-ethyl-2-mercapto-1-methyl-5-(trifluoromethyl)-
3-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(4-methyl-1-piperidinyl)propyl]-2,4-dioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide
N-{2-oxo-2-[(2Z)-2-(2-oxo-1-propyl-1,2-dihydro-3H-indol-3-ylidene)hydrazino]ethyl}-2,3-dihydro-1,4-benzodioxin-6-carboxamide
KITAMYCIN-A
4-(Diethylamino)-6,7-dimethyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
2-(2',3',4',6'-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-1,3-CYClOPENTANEDIONE
(+)-N-[(3-R,4-R)-HEXAHYDRO-4-HYDROXY-1-(PHENYLMETHYL)-1-H-AZEPIN-3-YL]-4-(PHENYLMETHOXY)-BENZAMIDE_MOSHER'S_ESTER;MINOR_ISOMER
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis and Physicochemical Characterization of the Impurities of Pemetrexed Disodium, an Anticancer Drug | Molecules | 2015 |