(1S)-1,5-Anhydro-6-[(cyclohexylcarbamoyl)amino]-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

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Systematic / IUPAC Name: 1-Cyclohexyl-3-[[(2R,3S,6S)-6-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-hydroxyoxan-2-yl]methyl]urea

ID: Reference12832

Other Names: D-Arabino-heptitol, 2,6-anhydro-7-[[(cyclohexylamino)carbonyl]amino]-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540362

Formula: C23H30FN3O4

Spectral Data

(1S)-1,5-Anhydro-6-[(cyclohexylcarbamoyl)amino]-2,3,6-trideoxy-1-{[5-(4-fluorophenyl)-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 1435
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/20/2023 8:12:08 AM
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Identificators

InChI InChI=1S/C23H30FN3O4/c24-16-8-6-15(7-9-16)21-13-18(27-31-21)12-19-10-11-20(28)22(30-19)14-25-23(29)26-17-4-2-1-3-5-17/h6-9,13,17,19-20,22,28H,1-5,10-12,14H2,(H2,25,26,29)/t19-,20-,22+/m0/s1
InChI Key VVORZJWFMMDCHZ-JAXLGGSGSA-N
Canonical SMILES C1CCC(CC1)NC(=O)NCC2C(CCC(O2)CC3=NOC(=C3)C4=CC=C(C=C4)F)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-7-[[(cyclohexylamino)carbonyl]amino]-1,3,4,7-tetradeoxy-1-[5-(4-fluorophenyl)-3-isoxazolyl]-;
NAT12-540362

In Other Databases

PubChem 75366945
ChemSpider 29856498