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

enlarge

Systematic / IUPAC Name: 4-[[[(3R,4S,5R)-4-Hydroxy-5-[(thiophene-2-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid

ID: Reference12009

Other Names: D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[(2-thienylcarbonyl)amino]-;
NAT19-551325

Formula: C18H20N2O5S

Spectral Data

1,4-Anhydro-2-[(4-carboxybenzyl)amino]-2,5-dideoxy-5-[(2-thienylcarbonyl)amino]-D-arabinitol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1739
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/28/2022 5:15:01 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H20N2O5S/c21-16-13(19-8-11-3-5-12(6-4-11)18(23)24)10-25-14(16)9-20-17(22)15-2-1-7-26-15/h1-7,13-14,16,19,21H,8-10H2,(H,20,22)(H,23,24)/t13-,14-,16+/m1/s1
InChI Key JNSNCLJOELRKSY-FMKPAKJESA-N
Canonical SMILES C1C(C(C(O1)CNC(=O)C2=CC=CS2)O)NCC3=CC=C(C=C3)C(=O)O
CAS
Splash
Other Names D-Arabinitol, 1,4-anhydro-2-[[(4-carboxyphenyl)methyl]amino]-2,5-dideoxy-5-[(2-thienylcarbonyl)amino]-;
NAT19-551325

In Other Databases

PubChem 75536603
ChemSpider 29858500