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

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

ID: Reference8802

Other Names: 3-Pyridinepropanoic acid, α-[[[(2S)-1-(cyclohexylcarbonyl)-4-(3-fluorobenzoyl)-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-311947

Formula: C28H33FN4O5

Spectral Data

Methyl N-{[(2S)-1-(cyclohexylcarbonyl)-4-(3-fluorobenzoyl)-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 2645
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/26/2019 8:49:12 AM
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Identificators

InChI InChI=1S/C28H33FN4O5/c1-38-28(37)23(15-19-7-6-12-30-17-19)31-25(34)24-18-32(26(35)21-10-5-11-22(29)16-21)13-14-33(24)27(36)20-8-3-2-4-9-20/h5-7,10-12,16-17,20,23-24H,2-4,8-9,13-15,18H2,1H3,(H,31,34)/t23-,24+/m1/s1
InChI Key AJEGCHNLBSPGOR-RPWUZVMVSA-N
Canonical SMILES COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2C(=O)C3CCCCC3)C(=O)C4=CC(=CC=C4)F
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Other Names 3-Pyridinepropanoic acid, α-[[[(2S)-1-(cyclohexylcarbonyl)-4-(3-fluorobenzoyl)-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-311947

In Other Databases

ChemSpider 5410069
PubChem 7052041