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

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

ID: Reference12735

Other Names: D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-7-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT12-540437

Formula: C16H27N3O5

Spectral Data

(1S)-1,5-Anhydro-2,3,6-trideoxy-6-[(isopropylcarbamoyl)amino]-1-{[5-(methoxymethyl)-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 1705
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/25/2023 8:50:15 AM
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Identificators

InChI InChI=1S/C16H27N3O5/c1-10(2)18-16(21)17-8-15-14(20)5-4-12(23-15)6-11-7-13(9-22-3)24-19-11/h7,10,12,14-15,20H,4-6,8-9H2,1-3H3,(H2,17,18,21)/t12-,14-,15+/m0/s1
InChI Key VCGYFKQDUFCSHK-AEGPPILISA-N
Canonical SMILES CC(C)NC(=O)NCC1C(CCC(O1)CC2=NOC(=C2)COC)O
CAS
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Other Names D-Arabino-heptitol, 2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-7-[[[(1-methylethyl)amino]carbonyl]amino]-;
NAT12-540437

In Other Databases

ChemSpider 29856542
PubChem 75366957