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

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

ID: Reference11699

Other Names: NAT9-312015

Formula: C18H27N5O4

Spectral Data

Methyl N-{[(2S)-1-(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
No. of Spectral Trees 1
No. of Spectra 1398
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/25/2022 8:56:16 AM
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Identificators

InChI InChI=1S/C18H27N5O4/c1-12(2)21-18(26)23-8-7-20-11-15(23)16(24)22-14(17(25)27-3)9-13-5-4-6-19-10-13/h4-6,10,12,14-15,20H,7-9,11H2,1-3H3,(H,21,26)(H,22,24)/t14-,15+/m1/s1
InChI Key XOIYZUHQLDQWRU-CABCVRRESA-N
Canonical SMILES CC(C)NC(=O)N1CCNCC1C(=O)NC(CC2=CN=CC=C2)C(=O)OC
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Other Names NAT9-312015

In Other Databases

ChemSpider 29857273
PubChem 75536036