1,4:3,6-Dianhydro-2,5-dideoxy-2-{[(4-phenoxyphenyl)carbamoyl]amino}-5-{5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl}-L-iditol

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-6-[5-[4-(1,2,4-Triazol-1-yl)phenoxy]tetrazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(4-phenoxyphenyl)urea

ID: Reference12457

Other Names: L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[[(4-phenoxyphenyl)amino]carbonyl]amino]-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298542

Formula: C28H25N9O5

Spectral Data

1,4:3,6-Dianhydro-2,5-dideoxy-2-{[(4-phenoxyphenyl)carbamoyl]amino}-5-{5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl}-L-iditol 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 2305
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/14/2023 11:56:20 AM
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Identificators

InChI InChI=1S/C28H25N9O5/c38-27(31-18-6-10-21(11-7-18)41-20-4-2-1-3-5-20)32-23-14-39-26-24(15-40-25(23)26)37-28(33-34-35-37)42-22-12-8-19(9-13-22)36-17-29-16-30-36/h1-13,16-17,23-26H,14-15H2,(H2,31,32,38)/t23-,24-,25+,26+/m0/s1
InChI Key UEILGOFLCYHSQW-QEGGNFSNSA-N
Canonical SMILES C1C(C2C(O1)C(CO2)N3C(=NN=N3)OC4=CC=C(C=C4)N5C=NC=N5)NC(=O)NC6=CC=C(C=C6)OC7=CC=CC=C7
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2,5-dideoxy-2-[[[(4-phenoxyphenyl)amino]carbonyl]amino]-5-[5-[4-(1H-1,2,4-triazol-1-yl)phenoxy]-1H-tetrazol-1-yl]-;
NAT6-298542

In Other Databases

PubChem 11886265
ChemSpider 10060588