(3S)-3-[(Cyclohexylcarbamoyl)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]-3-(cyclohexylcarbamoylamino)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide

ID: Reference12291

Other Names: L-Alaninamide, (3S)-3-[[(cyclohexylamino)carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-3-(2-thienyl)-;
NAT3-177913

Formula: C22H33N5O4S2

Spectral Data

(3S)-3-[(Cyclohexylcarbamoyl)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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2540
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:30:44 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H33N5O4S2/c1-32-13-18(28)27-10-9-16(26-22(31)24-14-6-3-2-4-7-14)19(27)21(30)25-17(20(23)29)12-15-8-5-11-33-15/h5,8,11,14,16-17,19H,2-4,6-7,9-10,12-13H2,1H3,(H2,23,29)(H,25,30)(H2,24,26,31)/t16-,17-,19-/m0/s1
InChI Key WSUGDPFDIJKEMO-LNLFQRSKSA-N
Canonical SMILES CSCC(=O)N1CCC(C1C(=O)NC(CC2=CC=CS2)C(=O)N)NC(=O)NC3CCCCC3
CAS
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Other Names L-Alaninamide, (3S)-3-[[(cyclohexylamino)carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-3-(2-thienyl)-;
NAT3-177913

In Other Databases

ChemSpider 10056392
PubChem 11882064