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

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

ID: Reference9404

Other Names: 3-Pyridinepropanoic acid, α-[[[(2S)-1-(cyclohexylcarbonyl)-4-[[(1-methylethyl)amino]carbonyl]-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-311953

Formula: C25H37N5O5

Spectral Data

Methyl N-{[(2S)-1-(cyclohexylcarbonyl)-4-(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 2527
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 2/24/2020 12:33:57 PM
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Identificators

InChI InChI=1S/C25H37N5O5/c1-17(2)27-25(34)29-12-13-30(23(32)19-9-5-4-6-10-19)21(16-29)22(31)28-20(24(33)35-3)14-18-8-7-11-26-15-18/h7-8,11,15,17,19-21H,4-6,9-10,12-14,16H2,1-3H3,(H,27,34)(H,28,31)/t20-,21+/m1/s1
InChI Key DXKJYUPFPZXJAP-RTWAWAEBSA-N
Canonical SMILES CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2=CN=CC=C2)C(=O)OC)C(=O)C3CCCCC3
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Other Names 3-Pyridinepropanoic acid, α-[[[(2S)-1-(cyclohexylcarbonyl)-4-[[(1-methylethyl)amino]carbonyl]-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-311953

In Other Databases

PubChem 7052042
ChemSpider 5410070