#(S,S)-9;(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-CARBOXYBUTANOYL]-AMINO]-PENTANEDIOIC
Compound with spectra: 1 NMR
![#(S,S)-9;(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-CARBOXYBUTANOYL]-AMINO]-PENTANEDIOIC](/api/compound/BtfLOBLPZ5p.png?ph=true&h=300&w=458 "#(S,S)-9;(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-CARBOXYBUTANOYL]-AMINO]-PENTANEDIOIC")
| SpectraBase Compound ID | BtfLOBLPZ5p |
|---|---|
| InChI | InChI=1S/C25H28N6O9/c26-25-30-20-19(23(38)31-25)14(11-27-20)6-3-12-1-4-13(5-2-12)21(36)28-15(7-9-17(32)33)22(37)29-16(24(39)40)8-10-18(34)35/h1-2,4-5,11,15-16H,3,6-10H2,(H,28,36)(H,29,37)(H,32,33)(H,34,35)(H,39,40)(H4,26,27,30,31,38)/t15-,16-/m0/s1 |
| InChIKey | SCSYVKUGSLVCGD-HOTGVXAUSA-N |
| Mol Weight | 556.53 g/mol |
| Molecular Formula | C25H28N6O9 |
| Exact Mass | 556.191776 g/mol |
| Enantiomer InChIKey | SCSYVKUGSLVCGD-HZPDHXFCSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
#9;(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-CARBOXYBUTANOYL]-AMINO]-PENTANEDIOIC-ACID
#7A;(2S)-2-[[4-[2-(2-(DIMETHYLAMINO)-METHYLENEAMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-PENTANEDIOIC-ACID-DISODIU
(2S)-2-[[4-[2-(2-(DIMETHYLAMINO)-METHYLENEAMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-PENTANEDIOIC-ACID
Dimethyl N-{4-[2-(2-pivaloylamino-4(3H)-oxo-7H-pyrrolo[2,3-d]pyrimidine-6yl)ethyl]benzoyl}-L-glutamate
2-AMINO-4,5,6,7,8,9-HEXAHYDROPYRIMIDO-[4.5-B]-INDOL-4-(3-H)-ONE
Diethyl N-N-((2-(pivaloylamino)-3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-6-yl)methyl)-4-(aminomethyl)benzoyl]glutamate
Dimethyl N-{4-[2-(2-pivaloylamino-4(3H)-oxo-7H-pyrrolo[2,3-d]pyrimidine-6yl]ethynyl}-L-glutamate
2-Methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido(4,5-B)indol-4-one
N-(CARBOBENZOXY)-L-SERYL-O-BENZYL-L-SERYL-GLYCYL-4-BENZYL-L-ASPARTYL-BENZYL-L-GLUTAMYL-O-BENZYL-L-THREONINE-METHYLESTER
9-(2-HYDROXYETHYL)-7-DEAZAGUANINE-7-CARBOXAMIDE
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis and Physicochemical Characterization of the Impurities of Pemetrexed Disodium, an Anticancer Drug | Molecules | 2015 |