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

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Systematic / IUPAC Name: 1-Benzyl-3-[[(2R,3S,6S)-3-hydroxy-6-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]urea

ID: Reference11292

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(4-methoxyphenyl)-3-isoxazolyl]-7-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT12-540872

Formula: C25H29N3O5

Spectral Data

(1S)-1,5-Anhydro-6-[(benzylcarbamoyl)amino]-2,3,6-trideoxy-1-{[5-(4-methoxyphenyl)-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 2456
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/17/2022 12:42:53 PM
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Identificators

InChI InChI=1S/C25H29N3O5/c1-31-20-9-7-18(8-10-20)23-14-19(28-33-23)13-21-11-12-22(29)24(32-21)16-27-25(30)26-15-17-5-3-2-4-6-17/h2-10,14,21-22,24,29H,11-13,15-16H2,1H3,(H2,26,27,30)/t21-,22-,24+/m0/s1
InChI Key YJCAFALJGUHJEV-WPFOTENUSA-N
Canonical SMILES COC1=CC=C(C=C1)C2=CC(=NO2)CC3CCC(C(O3)CNC(=O)NCC4=CC=CC=C4)O
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(4-methoxyphenyl)-3-isoxazolyl]-7-[[[(phenylmethyl)amino]carbonyl]amino]-;
NAT12-540872

In Other Databases

ChemSpider 29856715
PubChem 75536393