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

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

ID: Reference9307

Other Names: 3-Pyridinepropanoic acid, α-[[[(2S)-4-[[(1-methylethyl)amino]carbonyl]-1-(phenylsulfonyl)-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-312013

Formula: C24H31N5O6S

Spectral Data

Methyl N-{[(2S)-4-(isopropylcarbamoyl)-1-(phenylsulfonyl)-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
No. of Spectral Trees 2
No. of Spectra 3009
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/23/2020 2:10:11 PM
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Identificators

InChI InChI=1S/C24H31N5O6S/c1-17(2)26-24(32)28-12-13-29(36(33,34)19-9-5-4-6-10-19)21(16-28)22(30)27-20(23(31)35-3)14-18-8-7-11-25-15-18/h4-11,15,17,20-21H,12-14,16H2,1-3H3,(H,26,32)(H,27,30)/t20-,21+/m1/s1
InChI Key OWVLDCVQRLNHEW-RTWAWAEBSA-N
Canonical SMILES CC(C)NC(=O)N1CCN(C(C1)C(=O)NC(CC2=CN=CC=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3
CAS
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Other Names 3-Pyridinepropanoic acid, α-[[[(2S)-4-[[(1-methylethyl)amino]carbonyl]-1-(phenylsulfonyl)-2-piperazinyl]carbonyl]amino]-, methyl ester, (alphar)-;
NAT9-312013

In Other Databases

PubChem 26763581
ChemSpider 21389093