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

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

ID: Reference8929

Other Names: 3-Pyridinecarboxamide, N-[(1R,5R,6R)-3-[[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-5,6-dihydroxy-2-cyclohexen-1-yl]-;
NAT2-252279

Formula: C22H24N4O6

Spectral Data

Nα-({(3R,4R,5R)-4,5-dihydroxy-3-[(3-pyridinylcarbonyl)amino]-1-cyclohexen-1-yl}carbonyl)-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 2994
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/18/2019 12:52:55 PM
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Identificators

InChI InChI=1S/C22H24N4O6/c23-20(30)17(8-12-3-5-15(27)6-4-12)26-22(32)14-9-16(19(29)18(28)10-14)25-21(31)13-2-1-7-24-11-13/h1-7,9,11,16-19,27-29H,8,10H2,(H2,23,30)(H,25,31)(H,26,32)/t16-,17+,18-,19-/m1/s1
InChI Key SGPYDIBBAURGTI-FCGDIQPGSA-N
Canonical SMILES C1C(C(C(C=C1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)NC(=O)C3=CN=CC=C3)O)O
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Other Names 3-Pyridinecarboxamide, N-[(1R,5R,6R)-3-[[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]amino]carbonyl]-5,6-dihydroxy-2-cyclohexen-1-yl]-;
NAT2-252279

In Other Databases

PubChem 11866321
ChemSpider 10040654