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

enlarge

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

ID: Reference9403

Other Names: 3-Pyridinepropanoic acid, α-[[[(2S)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-311957

Formula: C24H27FN4O6

Spectral Data

Methyl N-{[(2S)-4-(3-fluorobenzoyl)-1-(methoxyacetyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 2980
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 2/24/2020 12:32:39 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H27FN4O6/c1-34-15-21(30)29-10-9-28(23(32)17-6-3-7-18(25)12-17)14-20(29)22(31)27-19(24(33)35-2)11-16-5-4-8-26-13-16/h3-8,12-13,19-20H,9-11,14-15H2,1-2H3,(H,27,31)/t19-,20+/m1/s1
InChI Key WCAGSRJCCGZYHD-UXHICEINSA-N
Canonical SMILES COCC(=O)N1CCN(CC1C(=O)NC(CC2=CN=CC=C2)C(=O)OC)C(=O)C3=CC(=CC=C3)F
CAS
Splash
Other Names 3-Pyridinepropanoic acid, α-[[[(2S)-4-(3-fluorobenzoyl)-1-(2-methoxyacetyl)-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-311957

In Other Databases

ChemSpider 10041932
PubChem 11867599