1,4-Anhydro-2-[(4-carboxybenzyl)amino]-2,5-dideoxy-5-{[(4-methylphenyl)sulfonyl]amino}-D-arabinitol

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Systematic / IUPAC Name: 4-[[[(3R,4S,5R)-4-Hydroxy-5-[[(4-methylphenyl)sulfonylamino]methyl]oxolan-3-yl]amino]methyl]benzoic acid

ID: Reference11759

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-;
NAT19-551675

Formula: C20H24N2O6S

Spectral Data

1,4-Anhydro-2-[(4-carboxybenzyl)amino]-2,5-dideoxy-5-{[(4-methylphenyl)sulfonyl]amino}-D-arabinitol 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 1818
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/14/2022 10:36:17 AM
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Identificators

InChI InChI=1S/C20H24N2O6S/c1-13-2-8-16(9-3-13)29(26,27)22-11-18-19(23)17(12-28-18)21-10-14-4-6-15(7-5-14)20(24)25/h2-9,17-19,21-23H,10-12H2,1H3,(H,24,25)/t17-,18-,19+/m1/s1
InChI Key RDVKRZIRWYJGMH-QRVBRYPASA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)NCC2C(C(CO2)NCC3=CC=C(C=C3)C(=O)O)O
CAS
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[[(4-methylphenyl)sulfonyl]amino]-;
NAT19-551675

In Other Databases

ChemSpider 29858627
PubChem 75536712