Methyl N-{[(2S)-4-(3-fluorobenzoyl)-1-(isopropylcarbamoyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate

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Systematic / IUPAC Name: Methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-(propan-2-ylcarbamoyl)piperazine-2-carbonyl]amino]-3-pyridin-3-ylpropanoate

ID: Reference9406

Other Names: 3-Pyridinepropanoic acid, α-[[[(2S)-4-(3-fluorobenzoyl)-1-[[(1-methylethyl)amino]carbonyl]-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-312017

Formula: C25H30FN5O5

Spectral Data

Methyl N-{[(2S)-4-(3-fluorobenzoyl)-1-(isopropylcarbamoyl)-2-piperazinyl]carbonyl}-3-(3-pyridinyl)-D-alaninate 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 1
No. of Spectra 2656
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/24/2020 12:37:11 PM
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Identificators

InChI InChI=1S/C25H30FN5O5/c1-16(2)28-25(35)31-11-10-30(23(33)18-7-4-8-19(26)13-18)15-21(31)22(32)29-20(24(34)36-3)12-17-6-5-9-27-14-17/h4-9,13-14,16,20-21H,10-12,15H2,1-3H3,(H,28,35)(H,29,32)/t20-,21+/m1/s1
InChI Key FPGQKKMIJJTFIZ-RTWAWAEBSA-N
Canonical SMILES CC(C)NC(=O)N1CCN(CC1C(=O)NC(CC2=CN=CC=C2)C(=O)OC)C(=O)C3=CC(=CC=C3)F
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Other Names 3-Pyridinepropanoic acid, α-[[[(2S)-4-(3-fluorobenzoyl)-1-[[(1-methylethyl)amino]carbonyl]-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-312017

In Other Databases

ChemSpider 10041933
PubChem 11867600