{2-[(4aS,7aR)-1-Benzyl-3-(3-chloro-4-fluorophenyl)-2,4-dioxooctahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethoxy}acetic acid

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Systematic / IUPAC Name: 2-[2-[(4aS,7aR)-1-Benzyl-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-4a,6,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethoxy]acetic acid

ID: Reference8925

Other Names: Acetic acid, 2-[2-[(4aS,7aR)-3-(3-chloro-4-fluorophenyl)octahydro-2,4-dioxo-1-(phenylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethoxy]-;
NAT3-281304

Formula: C23H21ClFN3O6

Spectral Data

{2-[(4aS,7aR)-1-Benzyl-3-(3-chloro-4-fluorophenyl)-2,4-dioxooctahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethoxy}acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 1683
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/13/2019 11:00:29 AM
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Identificators

InChI InChI=1S/C23H21ClFN3O6/c24-16-10-15(6-7-17(16)25)28-22(32)21-18(8-9-26(21)19(29)12-34-13-20(30)31)27(23(28)33)11-14-4-2-1-3-5-14/h1-7,10,18,21H,8-9,11-13H2,(H,30,31)/t18-,21+/m1/s1
InChI Key KFQYHRGLSZELNW-NQIIRXRSSA-N
Canonical SMILES C1CN(C2C1N(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)CC4=CC=CC=C4)C(=O)COCC(=O)O
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Other Names Acetic acid, 2-[2-[(4aS,7aR)-3-(3-chloro-4-fluorophenyl)octahydro-2,4-dioxo-1-(phenylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethoxy]-;
NAT3-281304

In Other Databases

PubChem 11884513
ChemSpider 10058841