5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-{[(4-isopropylphenyl)carbamoyl]amino}-D-glucitol

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Systematic / IUPAC Name: [(3S,3aR,6R,6aS)-3-[(4-Propan-2-ylphenyl)carbamoylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-(4-acetylphenyl)carbamate

ID: Reference12421

Other Names: D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[[4-(1-methylethyl)phenyl]amino]carbonyl]amino]-, 5-[(4-acetylphenyl)carbamate];
NAT6-270935

Formula: C25H29N3O6

Spectral Data

5-O-[(4-Acetylphenyl)carbamoyl]-1,4:3,6-dianhydro-2-deoxy-2-{[(4-isopropylphenyl)carbamoyl]amino}-D-glucitol 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 970
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 3/31/2023 3:28:14 PM
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Identificators

InChI InChI=1S/C25H29N3O6/c1-14(2)16-4-8-18(9-5-16)26-24(30)28-20-12-32-23-21(13-33-22(20)23)34-25(31)27-19-10-6-17(7-11-19)15(3)29/h4-11,14,20-23H,12-13H2,1-3H3,(H,27,31)(H2,26,28,30)/t20-,21+,22+,23+/m0/s1
InChI Key JMJVIZZUVGMNAS-WBADGQHESA-N
Canonical SMILES CC(C)C1=CC=C(C=C1)NC(=O)NC2COC3C2OCC3OC(=O)NC4=CC=C(C=C4)C(=O)C
CAS
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Other Names D-Glucitol, 1,4:3,6-dianhydro-2-deoxy-2-[[[[4-(1-methylethyl)phenyl]amino]carbonyl]amino]-, 5-[(4-acetylphenyl)carbamate];
NAT6-270935

In Other Databases

ChemSpider 10058488
PubChem 11884160