(3S)-3-[(Allylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-L-prolyl-3-(2-thienyl)-L-alaninamide

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Systematic / IUPAC Name: (2S,3S)-N-[(2S)-1-Amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-1-(2-methylsulfanylacetyl)-3-(prop-2-enylcarbamoylamino)pyrrolidine-2-carboxamide

ID: Reference12288

Other Names: L-Alaninamide, (3S)-1-[2-(methylthio)acetyl]-3-[[(2-propen-1-ylamino)carbonyl]amino]-L-prolyl-3-(2-thienyl)-;
NAT3-177907

Formula: C19H27N5O4S2

Spectral Data

(3S)-3-[(Allylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2390
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:20:42 PM
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Identificators

InChI InChI=1S/C19H27N5O4S2/c1-3-7-21-19(28)23-13-6-8-24(15(25)11-29-2)16(13)18(27)22-14(17(20)26)10-12-5-4-9-30-12/h3-5,9,13-14,16H,1,6-8,10-11H2,2H3,(H2,20,26)(H,22,27)(H2,21,23,28)/t13-,14-,16-/m0/s1
InChI Key NTPDUZPXZIOICK-DZKIICNBSA-N
Canonical SMILES CSCC(=O)N1CCC(C1C(=O)NC(CC2=CC=CS2)C(=O)N)NC(=O)NCC=C
CAS
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Other Names L-Alaninamide, (3S)-1-[2-(methylthio)acetyl]-3-[[(2-propen-1-ylamino)carbonyl]amino]-L-prolyl-3-(2-thienyl)-;
NAT3-177907

In Other Databases

ChemSpider 10056390
PubChem 11882062