(1-{2-[(4aS,7aR)-3-(4-Methylphenyl)-2,4-dioxooctahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethyl}cyclopentyl)acetic acid

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Systematic / IUPAC Name: 2-[1-[2-[(4aS,7aR)-3-(4-Methylphenyl)-2,4-dioxo-4a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethyl]cyclopentyl]acetic acid

ID: Reference10223

Other Names: Cyclopentaneacetic acid, 1-[2-[(4aS,7aR)-octahydro-3-(4-methylphenyl)-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethyl]-;
NAT3-304779

Formula: C22H27N3O5

Spectral Data

(1-{2-[(4aS,7aR)-3-(4-Methylphenyl)-2,4-dioxooctahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethyl}cyclopentyl)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
No. of Spectral Trees 2
No. of Spectra 3903
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2021 1:30:10 PM
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Identificators

InChI InChI=1S/C22H27N3O5/c1-14-4-6-15(7-5-14)25-20(29)19-16(23-21(25)30)8-11-24(19)17(26)12-22(13-18(27)28)9-2-3-10-22/h4-7,16,19H,2-3,8-13H2,1H3,(H,23,30)(H,27,28)/t16-,19+/m1/s1
InChI Key NTUWRSHWIRLFMN-APWZRJJASA-N
Canonical SMILES CC1=CC=C(C=C1)N2C(=O)C3C(CCN3C(=O)CC4(CCCC4)CC(=O)O)NC2=O
CAS
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Other Names Cyclopentaneacetic acid, 1-[2-[(4aS,7aR)-octahydro-3-(4-methylphenyl)-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-2-oxoethyl]-;
NAT3-304779

In Other Databases

PubChem 7156591
ChemSpider 5496037