(3S)-3-[(Isopropylcarbamoyl)amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-3-(2-thienyl)-L-alaninamide

enlarge

Systematic / IUPAC Name: (2S,3S)-N-[(2S)-1-Amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-(propan-2-ylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

ID: Reference12295

Other Names: L-Alaninamide, (3S)-3-[[[(1-methylethyl)amino]carbonyl]amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-3-(2-thienyl)-;
NAT3-177897

Formula: C21H27N7O4S

Spectral Data

(3S)-3-[(Isopropylcarbamoyl)amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-3-(2-thienyl)-L-alaninamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2231
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:42:58 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H27N7O4S/c1-12(2)25-21(32)27-14-5-8-28(20(31)16-11-23-6-7-24-16)17(14)19(30)26-15(18(22)29)10-13-4-3-9-33-13/h3-4,6-7,9,11-12,14-15,17H,5,8,10H2,1-2H3,(H2,22,29)(H,26,30)(H2,25,27,32)/t14-,15-,17-/m0/s1
InChI Key DYVRJBVNZKHDQZ-ZOBUZTSGSA-N
Canonical SMILES CC(C)NC(=O)NC1CCN(C1C(=O)NC(CC2=CC=CS2)C(=O)N)C(=O)C3=NC=CN=C3
CAS
Splash
Other Names L-Alaninamide, (3S)-3-[[[(1-methylethyl)amino]carbonyl]amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-3-(2-thienyl)-;
NAT3-177897

In Other Databases

PubChem 11882057
ChemSpider 10056385