(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(2-fluorobenzoyl)amino]-1-{[5-(1-piperazinylmethyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

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Systematic / IUPAC Name: 2-Fluoro-N-[[(2R,3S,6S)-3-hydroxy-6-[[5-(piperazin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]benzamide

ID: Reference13076

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(2-fluorobenzoyl)amino]-1-[5-(1-piperazinylmethyl)-3-isoxazolyl]-;
NAT12-541073

Formula: C22H29FN4O4

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(2-fluorobenzoyl)amino]-1-{[5-(1-piperazinylmethyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol 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 799
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/25/2024 4:53:03 PM
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Identificators

InChI InChI=1S/C22H29FN4O4/c23-19-4-2-1-3-18(19)22(29)25-13-21-20(28)6-5-16(30-21)11-15-12-17(31-26-15)14-27-9-7-24-8-10-27/h1-4,12,16,20-21,24,28H,5-11,13-14H2,(H,25,29)/t16-,20-,21+/m0/s1
InChI Key RBKHMCODWVHNGG-ORYQWCPZSA-N
Canonical SMILES C1CC(C(OC1CC2=NOC(=C2)CN3CCNCC3)CNC(=O)C4=CC=CC=C4F)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[(2-fluorobenzoyl)amino]-1-[5-(1-piperazinylmethyl)-3-isoxazolyl]-;
NAT12-541073

In Other Databases

PubChem 75367037
ChemSpider 32044049