N2-methyl-N-[(1S,2R,3R,5S)-2,3,5-trihydroxy-5-{[(3S)-2-oxo-3-piperidinyl]carbamoyl}cyclohexyl]-L-leucinamide

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Systematic / IUPAC Name: (1S,3R,4R,5S)-1,3,4-Trihydroxy-5-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]-N-[(3S)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide

ID: Reference12833

Other Names: NAT2-252674

Formula: C19H34N4O6

Spectral Data

N2-methyl-N-[(1S,2R,3R,5S)-2,3,5-trihydroxy-5-{[(3S)-2-oxo-3-piperidinyl]carbamoyl}cyclohexyl]-L-leucinamide 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 1611
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2023 9:57:32 AM
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Identificators

InChI InChI=1S/C19H34N4O6/c1-10(2)7-12(20-3)17(27)22-13-8-19(29,9-14(24)15(13)25)18(28)23-11-5-4-6-21-16(11)26/h10-15,20,24-25,29H,4-9H2,1-3H3,(H,21,26)(H,22,27)(H,23,28)/t11-,12-,13-,14+,15+,19-/m0/s1
InChI Key HSRXTLYHFFEAGQ-JLQBOQESSA-N
Canonical SMILES CC(C)CC(C(=O)NC1CC(CC(C1O)O)(C(=O)NC2CCCNC2=O)O)NC
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Other Names NAT2-252674

In Other Databases

ChemSpider 10040697
PubChem 11866364