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

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

ID: Reference8799

Other Names: 3-Pyridinepropanoic acid, α-[[[(2S)-4-(3-fluorobenzoyl)-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-311967

Formula: C26H25FN4O5S

Spectral Data

Methyl N-{[(2S)-4-(3-fluorobenzoyl)-1-(2-thienylcarbonyl)-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 1513
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 7/26/2019 6:41:38 AM
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Identificators

InChI InChI=1S/C26H25FN4O5S/c1-36-26(35)20(13-17-5-3-9-28-15-17)29-23(32)21-16-30(24(33)18-6-2-7-19(27)14-18)10-11-31(21)25(34)22-8-4-12-37-22/h2-9,12,14-15,20-21H,10-11,13,16H2,1H3,(H,29,32)/t20-,21+/m1/s1
InChI Key NQISHKHXBWRGNC-RTWAWAEBSA-N
Canonical SMILES COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F
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Other Names 3-Pyridinepropanoic acid, α-[[[(2S)-4-(3-fluorobenzoyl)-1-(2-thienylcarbonyl)-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-311967

In Other Databases

ChemSpider 5459475
PubChem 7113396