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

enlarge

Systematic / IUPAC Name: 1-[[(2R,3S,6S)-3-Hydroxy-6-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea

ID: Reference12830

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[[(1-methylethyl)amino]carbonyl]amino]-1-[5-(phenoxymethyl)-3-isoxazolyl]-;
NAT12-540656

Formula: C21H29N3O5

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(isopropylcarbamoyl)amino]-1-{[5-(phenoxymethyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1755
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/20/2023 7:40:10 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H29N3O5/c1-14(2)23-21(26)22-12-20-19(25)9-8-17(28-20)10-15-11-18(29-24-15)13-27-16-6-4-3-5-7-16/h3-7,11,14,17,19-20,25H,8-10,12-13H2,1-2H3,(H2,22,23,26)/t17-,19-,20+/m0/s1
InChI Key ITWQMAASQWYHKA-YSIASYRMSA-N
Canonical SMILES CC(C)NC(=O)NCC1C(CCC(O1)CC2=NOC(=C2)COC3=CC=CC=C3)O
CAS
Splash
Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-7-[[[(1-methylethyl)amino]carbonyl]amino]-1-[5-(phenoxymethyl)-3-isoxazolyl]-;
NAT12-540656

In Other Databases

ChemSpider 29856637
PubChem 75367000