N2-{[(3R,4R,5R)-4,5-dihydroxy-3-{[(4-methylphenyl)carbamoyl]amino}-1-cyclohexen-1-yl]carbonyl}-D-leucinamide

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Systematic / IUPAC Name: (3R,4R,5R)-N-[(2R)-1-Amino-4-methyl-1-oxopentan-2-yl]-4,5-dihydroxy-3-[(4-methylphenyl)carbamoylamino]cyclohexene-1-carboxamide

ID: Reference8927

Other Names: 1-Cyclohexene-1-carboxamide, N-[(1R)-1-(aminocarbonyl)-3-methylbutyl]-4,5-dihydroxy-3-[[[(4-methylphenyl)amino]carbonyl]amino]-, (3R,4R,5R)-;
NAT2-252142

Formula: C21H30N4O5

Spectral Data

N2-{[(3R,4R,5R)-4,5-dihydroxy-3-{[(4-methylphenyl)carbamoyl]amino}-1-cyclohexen-1-yl]carbonyl}-D-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 2567
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/18/2019 12:49:24 PM
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Identificators

InChI InChI=1S/C21H30N4O5/c1-11(2)8-16(19(22)28)24-20(29)13-9-15(18(27)17(26)10-13)25-21(30)23-14-6-4-12(3)5-7-14/h4-7,9,11,15-18,26-27H,8,10H2,1-3H3,(H2,22,28)(H,24,29)(H2,23,25,30)/t15-,16-,17-,18-/m1/s1
InChI Key LPXJAOVQMLIWCY-BRSBDYLESA-N
Canonical SMILES CC1=CC=C(C=C1)NC(=O)NC2C=C(CC(C2O)O)C(=O)NC(CC(C)C)C(=O)N
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Other Names 1-Cyclohexene-1-carboxamide, N-[(1R)-1-(aminocarbonyl)-3-methylbutyl]-4,5-dihydroxy-3-[[[(4-methylphenyl)amino]carbonyl]amino]-, (3R,4R,5R)-;
NAT2-252142

In Other Databases

PubChem 11866295
ChemSpider 10040628