1-{(4R,7S,8aS)-4-[3-(2,3-Dihydro-1H-indol-1-yl)-3-oxopropyl]-1-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}-3-(3-thienyl)urea

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Systematic / IUPAC Name: 1-[(4R,7S,8aS)-4-[3-(2,3-Dihydroindol-1-yl)-3-oxopropyl]-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-thiophen-3-ylurea

ID: Reference12449

Other Names: NAT23-379302

Formula: C23H27N5O3S

Spectral Data

1-{(4R,7S,8aS)-4-[3-(2,3-Dihydro-1H-indol-1-yl)-3-oxopropyl]-1-oxooctahydropyrrolo[1,2-a]pyrazin-7-yl}-3-(3-thienyl)urea 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 1
No. of Spectra 2513
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/17/2023 10:35:46 AM
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Identificators

InChI InChI=1S/C23H27N5O3S/c29-21(27-9-7-15-3-1-2-4-19(15)27)6-5-18-12-24-22(30)20-11-17(13-28(18)20)26-23(31)25-16-8-10-32-14-16/h1-4,8,10,14,17-18,20H,5-7,9,11-13H2,(H,24,30)(H2,25,26,31)/t17-,18+,20-/m0/s1
InChI Key KFBVTWTYPLHAAX-NSHGMRRFSA-N
Canonical SMILES C1CN(C2=CC=CC=C21)C(=O)CCC3CNC(=O)C4N3CC(C4)NC(=O)NC5=CSC=C5
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Other Names NAT23-379302

In Other Databases

PubChem 26762201
ChemSpider 21382469