1,4-Anhydro-2-[(4-carboxybenzyl)amino]-5-[(cyclopropylcarbonyl)amino]-2,5-dideoxy-D-arabinitol

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Systematic / IUPAC Name: 4-[[[(3R,4S,5R)-5-[(Cyclopropanecarbonylamino)methyl]-4-hydroxyoxolan-3-yl]amino]methyl]benzoic acid

ID: Reference12026

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-5-[(cyclopropylcarbonyl)amino]-2,5-dideoxy-;
NAT19-551125

Formula: C17H22N2O5

Spectral Data

1,4-Anhydro-2-[(4-carboxybenzyl)amino]-5-[(cyclopropylcarbonyl)amino]-2,5-dideoxy-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 1555
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/6/2022 8:02:59 AM
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Identificators

InChI InChI=1S/C17H22N2O5/c20-15-13(9-24-14(15)8-19-16(21)11-5-6-11)18-7-10-1-3-12(4-2-10)17(22)23/h1-4,11,13-15,18,20H,5-9H2,(H,19,21)(H,22,23)/t13-,14-,15+/m1/s1
InChI Key HNSFAGPURSQAQX-KFWWJZLASA-N
Canonical SMILES C1CC1C(=O)NCC2C(C(CO2)NCC3=CC=C(C=C3)C(=O)O)O
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Other Names D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-5-[(cyclopropylcarbonyl)amino]-2,5-dideoxy-;
NAT19-551125

In Other Databases

ChemSpider 29858429
PubChem 75536544