1,4:3,6-Dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[(phenylcarbamoyl)amino]-L-iditol

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Systematic / IUPAC Name: 1-[(3S,3aR,6S,6aR)-3-[(4-Cyclopentylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-phenylurea

ID: Reference8956

Other Names: L-Iditol, 1,4:3,6-dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[[(phenylamino)carbonyl]amino]-;
NAT6-322195

Formula: C22H27N5O3

Spectral Data

1,4:3,6-Dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[(phenylcarbamoyl)amino]-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 FAIMS
No. of Spectral Trees 2
No. of Spectra 3828
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 9/27/2019 6:49:01 AM
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Identificators

InChI InChI=1S/C22H27N5O3/c28-22(24-15-8-2-1-3-9-15)27-18-13-30-19-17(12-29-20(18)19)26-21-23-11-10-16(25-21)14-6-4-5-7-14/h1-3,8-11,14,17-20H,4-7,12-13H2,(H,23,25,26)(H2,24,27,28)/t17-,18-,19+,20+/m0/s1
InChI Key VDXPCQLDRGDJAG-VNTMZGSJSA-N
Canonical SMILES C1CCC(C1)C2=NC(=NC=C2)NC3COC4C3OCC4NC(=O)NC5=CC=CC=C5
CAS
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Other Names L-Iditol, 1,4:3,6-dianhydro-2-[(4-cyclopentyl-2-pyrimidinyl)amino]-2,5-dideoxy-5-[[(phenylamino)carbonyl]amino]-;
NAT6-322195

In Other Databases

ChemSpider 10117337
PubChem 11943018