(3S)-3-[(Allylcarbamoyl)amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-D-phenylalaninamide

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Systematic / IUPAC Name: (2S,3S)-N-[(2R)-1-Amino-1-oxo-3-phenylpropan-2-yl]-3-(prop-2-enylcarbamoylamino)-1-(pyrazine-2-carbonyl)pyrrolidine-2-carboxamide

ID: Reference12292

Other Names: D-Phenylalaninamide, (3S)-3-[[(2-propen-1-ylamino)carbonyl]amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-;
NAT3-177945

Formula: C23H27N7O4

Spectral Data

(3S)-3-[(Allylcarbamoyl)amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-D-phenylalaninamide 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 2687
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:34:19 PM
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Identificators

InChI InChI=1S/C23H27N7O4/c1-2-9-27-23(34)29-16-8-12-30(22(33)18-14-25-10-11-26-18)19(16)21(32)28-17(20(24)31)13-15-6-4-3-5-7-15/h2-7,10-11,14,16-17,19H,1,8-9,12-13H2,(H2,24,31)(H,28,32)(H2,27,29,34)/t16-,17+,19-/m0/s1
InChI Key YEWJVUJARUATRL-SCTDSRPQSA-N
Canonical SMILES C=CCNC(=O)NC1CCN(C1C(=O)NC(CC2=CC=CC=C2)C(=O)N)C(=O)C3=NC=CN=C3
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Other Names D-Phenylalaninamide, (3S)-3-[[(2-propen-1-ylamino)carbonyl]amino]-1-(2-pyrazinylcarbonyl)-L-prolyl-;
NAT3-177945

In Other Databases

PubChem 11882077
ChemSpider 10056405