MK-812

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Systematic / IUPAC Name: 1,5-Anhydro-2,3-dideoxy-3-{[(1R,3S)-3-isopropyl-3-{[3-(trifluoromethyl)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]carbonyl}cyclopentyl]amino}-4-O-methyl-D-erythro-pentitol

ID: Reference3020

Other Names: MK-0812;
1,5-Anhydro-2,3-dideoxy-3-{(1R,3S)-3-[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]}cad-erythro-pentitol ;
D-Erythro-pentitol, 1,5-anhydro-2,3-dideoxy-3-{[(1R,3S)-3-{[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]carbonyl}-3-(1-methylethyl)cyclopentyl]amino}-4-O-methyl-

Formula: C24H34F3N3O3

Spectral Data

MK-812 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 106
Tandem Spectra MS1, MS2
Ionization Methods APCI
Analyzers FT
Last Modification 9/23/2015 11:07:53 AM
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Identificators

InChI InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1
InChI Key MTMDXAIUENDNDL-RJSMDTJLSA-N
Canonical SMILES CC(C)C1(CCC(C1)NC2CCOCC2OC)C(=O)N3CCC4=NC=C(C=C4C3)C(F)(F)F
CAS 851916422
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Other Names MK-0812;
1,5-Anhydro-2,3-dideoxy-3-{(1R,3S)-3-[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]}cad-erythro-pentitol ;
D-Erythro-pentitol, 1,5-anhydro-2,3-dideoxy-3-{[(1R,3S)-3-{[7,8-dihydro-3-(trifluoromethyl)-1,6-naphthyridin-6(5H)-yl]carbonyl}-3-(1-methylethyl)cyclopentyl]amino}-4-O-methyl-

In Other Databases

ChEMBL CHEMBL3305901
PubChem 11180808
ChemSpider 9355897