Methyl (3S)-3-{[(2,4-difluorophenyl)carbamoyl]amino}-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolyl-D-valinate

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Systematic / IUPAC Name: Methyl (2R)-2-[[(2S,3S)-3-[(2,4-difluorophenyl)carbamoylamino]-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoate

ID: Reference8935

Other Names: NAT3-178082;
D-Valine, (3S)-3-[[[(2,4-difluorophenyl)amino]carbonyl]amino]-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolyl-, methyl ester

Formula: C24H29F2N5O5

Spectral Data

Methyl (3S)-3-{[(2,4-difluorophenyl)carbamoyl]amino}-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-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 4880
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers FT
Last Modification 6/21/2023 12:49:16 PM
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Identificators

InChI InChI=1S/C24H29F2N5O5/c1-13(2)19(23(34)36-4)29-21(32)20-17(9-11-31(20)22(33)18-6-5-10-30(18)3)28-24(35)27-16-8-7-14(25)12-15(16)26/h5-8,10,12-13,17,19-20H,9,11H2,1-4H3,(H,29,32)(H2,27,28,35)/t17-,19+,20-/m0/s1
InChI Key ZLZLMHDIKVHHCG-SXLOBPIMSA-N
Canonical SMILES CC(C)C(C(=O)OC)NC(=O)C1C(CCN1C(=O)C2=CC=CN2C)NC(=O)NC3=C(C=C(C=C3)F)F
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Other Names NAT3-178082;
D-Valine, (3S)-3-[[[(2,4-difluorophenyl)amino]carbonyl]amino]-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolyl-, methyl ester

In Other Databases

PubChem 7049571
ChemSpider 5409338