(4S)-4-{[(2,4-Difluorophenyl)carbamoyl]amino}-1-[(methylsulfanyl)acetyl]-L-prolyl-N2-methylglycinamide

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Systematic / IUPAC Name: (2S,4S)-N-(2-Amino-2-oxoethyl)-4-[(2,4-difluorophenyl)carbamoylamino]-N-methyl-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide

ID: Reference12700

Other Names: NAT3-155237

Formula: C18H23F2N5O4S

Spectral Data

(4S)-4-{[(2,4-Difluorophenyl)carbamoyl]amino}-1-[(methylsulfanyl)acetyl]-L-prolyl-N2-methylglycinamide 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 1960
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/15/2023 7:17:35 AM
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Identificators

InChI InChI=1S/C18H23F2N5O4S/c1-24(8-15(21)26)17(28)14-6-11(7-25(14)16(27)9-30-2)22-18(29)23-13-4-3-10(19)5-12(13)20/h3-5,11,14H,6-9H2,1-2H3,(H2,21,26)(H2,22,23,29)/t11-,14-/m0/s1
InChI Key SDDMHEZHNDVZRX-FZMZJTMJSA-N
Canonical SMILES CN(CC(=O)N)C(=O)C1CC(CN1C(=O)CSC)NC(=O)NC2=C(C=C(C=C2)F)F
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Other Names NAT3-155237

In Other Databases

PubChem 26763134
ChemSpider 21383561