(3S)-3-{[(2,4-Difluorophenyl)carbamoyl]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-[(2,4-difluorophenyl)carbamoylamino]-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxamide

ID: Reference12012

Other Names: NAT3-177901

Formula: C22H25F2N5O4S2

Spectral Data

(3S)-3-{[(2,4-Difluorophenyl)carbamoyl]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 2863
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/2/2022 8:34:57 AM
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Identificators

InChI InChI=1S/C22H25F2N5O4S2/c1-34-11-18(30)29-7-6-16(28-22(33)27-15-5-4-12(23)9-14(15)24)19(29)21(32)26-17(20(25)31)10-13-3-2-8-35-13/h2-5,8-9,16-17,19H,6-7,10-11H2,1H3,(H2,25,31)(H,26,32)(H2,27,28,33)/t16-,17-,19-/m0/s1
InChI Key ZBDUDCJIQNQIKE-LNLFQRSKSA-N
Canonical SMILES CSCC(=O)N1CCC(C1C(=O)NC(CC2=CC=CS2)C(=O)N)NC(=O)NC3=C(C=C(C=C3)F)F
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Other Names NAT3-177901

In Other Databases

PubChem 11882059
ChemSpider 10056387