Methyl (4S)-1-[(methylsulfanyl)acetyl]-4-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-L-prolyl-D-valinate

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Systematic / IUPAC Name: Methyl (2R)-3-methyl-2-[[(2S,4S)-1-(2-methylsulfanylacetyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carbonyl]amino]butanoate

ID: Reference8922

Other Names: D-Valine, (4S)-1-[2-(methylthio)acetyl]-4-[[[[3-(methylthio)phenyl]amino]carbonyl]amino]-L-prolyl-, methyl ester;
NAT3-155471

Formula: C22H32N4O5S2

Spectral Data

Methyl (4S)-1-[(methylsulfanyl)acetyl]-4-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-L-prolyl-D-valinate 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 2853
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/13/2019 10:55:27 AM
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Identificators

InChI InChI=1S/C22H32N4O5S2/c1-13(2)19(21(29)31-3)25-20(28)17-10-15(11-26(17)18(27)12-32-4)24-22(30)23-14-7-6-8-16(9-14)33-5/h6-9,13,15,17,19H,10-12H2,1-5H3,(H,25,28)(H2,23,24,30)/t15-,17-,19+/m0/s1
InChI Key RYCDMCFSLRNDTE-VDZJLULYSA-N
Canonical SMILES CC(C)C(C(=O)OC)NC(=O)C1CC(CN1C(=O)CSC)NC(=O)NC2=CC(=CC=C2)SC
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Other Names D-Valine, (4S)-1-[2-(methylthio)acetyl]-4-[[[[3-(methylthio)phenyl]amino]carbonyl]amino]-L-prolyl-, methyl ester;
NAT3-155471

In Other Databases

PubChem 7127962
ChemSpider 5471733