(1S)-6-[(1-Acetyl-4-piperidinyl)amino]-1,5-anhydro-2,3,6-trideoxy-1-{[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl}-D-erythro-hexitol

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Systematic / IUPAC Name: 1-[4-[[(2R,3S,6S)-3-Hydroxy-6-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone

ID: Reference11696

Other Names: D-Arabino-heptitol, 7-[(1-acetyl-4-piperidinyl)amino]-2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-;
NAT12-540450

Formula: C19H31N3O5

Spectral Data

(1S)-6-[(1-Acetyl-4-piperidinyl)amino]-1,5-anhydro-2,3,6-trideoxy-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 2095
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/25/2022 8:51:24 AM
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Identificators

InChI InChI=1S/C19H31N3O5/c1-13(23)22-7-5-14(6-8-22)20-11-19-18(24)4-3-16(26-19)9-15-10-17(12-25-2)27-21-15/h10,14,16,18-20,24H,3-9,11-12H2,1-2H3/t16-,18-,19+/m0/s1
InChI Key URRKNWFXTVIEPQ-YTQUADARSA-N
Canonical SMILES CC(=O)N1CCC(CC1)NCC2C(CCC(O2)CC3=NOC(=C3)COC)O
CAS
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Other Names D-Arabino-heptitol, 7-[(1-acetyl-4-piperidinyl)amino]-2,6-anhydro-1,3,4,7-tetradeoxy-1-[5-(methoxymethyl)-3-isoxazolyl]-;
NAT12-540450

In Other Databases

PubChem 86768994
ChemSpider 29856552