Nα-({(3R,4R,5R)-4,5-dihydroxy-3-[(3-pyridinylcarbonyl)amino]-1-cyclohexen-1-yl}carbonyl)-O-methyl-L-tyrosinamide

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Systematic / IUPAC Name: N-[(1R,5R,6R)-3-[[(2S)-1-Amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyridine-3-carboxamide

ID: Reference12374

Other Names: NAT2-252254

Formula: C23H26N4O6

Spectral Data

Nα-({(3R,4R,5R)-4,5-dihydroxy-3-[(3-pyridinylcarbonyl)amino]-1-cyclohexen-1-yl}carbonyl)-O-methyl-L-tyrosinamide 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 2778
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2023 1:07:45 PM
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Identificators

InChI InChI=1S/C23H26N4O6/c1-33-16-6-4-13(5-7-16)9-18(21(24)30)27-23(32)15-10-17(20(29)19(28)11-15)26-22(31)14-3-2-8-25-12-14/h2-8,10,12,17-20,28-29H,9,11H2,1H3,(H2,24,30)(H,26,31)(H,27,32)/t17-,18+,19-,20-/m1/s1
InChI Key WLFIGUYIARBIRT-IYWMVGAKSA-N
Canonical SMILES COC1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2=CC(C(C(C2)O)O)NC(=O)C3=CN=CC=C3
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Other Names NAT2-252254

In Other Databases

ChemSpider 5409450
PubChem 7050142