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

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

ID: Reference12499

Other Names: NAT9-312110

Formula: C26H27N5O6S

Spectral Data

Methyl N-{[(2R)-1-(phenylsulfonyl)-4-(3-pyridinylcarbonyl)-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 2610
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 10:32:07 AM
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Identificators

InChI InChI=1S/C26H27N5O6S/c1-37-26(34)22(15-19-7-5-11-27-16-19)29-24(32)23-18-30(25(33)20-8-6-12-28-17-20)13-14-31(23)38(35,36)21-9-3-2-4-10-21/h2-12,16-17,22-23H,13-15,18H2,1H3,(H,29,32)/t22-,23-/m1/s1
InChI Key REQQHXSEBULCNU-DHIUTWEWSA-N
Canonical SMILES COC(=O)C(CC1=CN=CC=C1)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CN=CC=C4
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Other Names NAT9-312110

In Other Databases

PubChem 44717029
ChemSpider 21389105