Methyl N-({(2R)-1-(cyclohexylcarbamoyl)-4-[4-(dimethylamino)benzoyl]-2-piperazinyl}carbonyl)-D-alaninate

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Systematic / IUPAC Name: Methyl (2R)-2-[[(2R)-1-(cyclohexylcarbamoyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carbonyl]amino]propanoate

ID: Reference12329

Other Names: D-Alanine, N-[[(2R)-1-[(cyclohexylamino)carbonyl]-4-[4-(dimethylamino)benzoyl]-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311728

Formula: C25H37N5O5

Spectral Data

Methyl N-({(2R)-1-(cyclohexylcarbamoyl)-4-[4-(dimethylamino)benzoyl]-2-piperazinyl}carbonyl)-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 2630
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/3/2023 8:39:49 AM
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Identificators

InChI InChI=1S/C25H37N5O5/c1-17(24(33)35-4)26-22(31)21-16-29(23(32)18-10-12-20(13-11-18)28(2)3)14-15-30(21)25(34)27-19-8-6-5-7-9-19/h10-13,17,19,21H,5-9,14-16H2,1-4H3,(H,26,31)(H,27,34)/t17-,21-/m1/s1
InChI Key IAEZUZBPLKRNLF-DYESRHJHSA-N
Canonical SMILES CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)NC2CCCCC2)C(=O)C3=CC=C(C=C3)N(C)C
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Other Names D-Alanine, N-[[(2R)-1-[(cyclohexylamino)carbonyl]-4-[4-(dimethylamino)benzoyl]-2-piperazinyl]carbonyl]-, methyl ester;
NAT9-311728

In Other Databases

ChemSpider 5976580
PubChem 7662560