Methyl (4S)-4-{[(2,4-difluorophenyl)carbamoyl]amino}-1-[(methylsulfanyl)acetyl]-L-prolyl-D-prolinate

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Systematic / IUPAC Name: Methyl (2R)-1-[(2S,4S)-4-[(2,4-difluorophenyl)carbamoylamino]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate

ID: Reference12287

Other Names: D-Proline, (4S)-4-[[[(2,4-difluorophenyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-, methyl ester;
NAT3-155201

Formula: C21H26F2N4O5S

Spectral Data

Methyl (4S)-4-{[(2,4-difluorophenyl)carbamoyl]amino}-1-[(methylsulfanyl)acetyl]-L-prolyl-D-prolinate 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 1861
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:18:20 PM
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Identificators

InChI InChI=1S/C21H26F2N4O5S/c1-32-20(30)16-4-3-7-26(16)19(29)17-9-13(10-27(17)18(28)11-33-2)24-21(31)25-15-6-5-12(22)8-14(15)23/h5-6,8,13,16-17H,3-4,7,9-11H2,1-2H3,(H2,24,25,31)/t13-,16+,17-/m0/s1
InChI Key LIXBYNYNVPILNX-XKQJLSEDSA-N
Canonical SMILES COC(=O)C1CCCN1C(=O)C2CC(CN2C(=O)CSC)NC(=O)NC3=C(C=C(C=C3)F)F
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Other Names D-Proline, (4S)-4-[[[(2,4-difluorophenyl)amino]carbonyl]amino]-1-[2-(methylthio)acetyl]-L-prolyl-, methyl ester;
NAT3-155201

In Other Databases

ChemSpider 5409279
PubChem 7049381