(3R,4R,5R)-N-(3-Amino-3-oxopropyl)-3-{[(3-fluorophenyl)carbamoyl]amino}-4,5-dihydroxy-1-cyclohexene-1-carboxamide

enlarge

Systematic / IUPAC Name: (3R,4R,5R)-N-(3-Amino-3-oxopropyl)-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide

ID: Reference8928

Other Names: 1-Cyclohexene-1-carboxamide, N-(3-amino-3-oxopropyl)-3-[[[(3-fluorophenyl)amino]carbonyl]amino]-4,5-dihydroxy-, (3R,4R,5R)-;
NAT2-252345

Formula: C17H21FN4O5

Spectral Data

(3R,4R,5R)-N-(3-Amino-3-oxopropyl)-3-{[(3-fluorophenyl)carbamoyl]amino}-4,5-dihydroxy-1-cyclohexene-1-carboxamide 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 2671
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/18/2019 12:51:00 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H21FN4O5/c18-10-2-1-3-11(8-10)21-17(27)22-12-6-9(7-13(23)15(12)25)16(26)20-5-4-14(19)24/h1-3,6,8,12-13,15,23,25H,4-5,7H2,(H2,19,24)(H,20,26)(H2,21,22,27)/t12-,13-,15-/m1/s1
InChI Key QDLQLYXLSZGSTO-UMVBOHGHSA-N
Canonical SMILES C1C(C(C(C=C1C(=O)NCCC(=O)N)NC(=O)NC2=CC(=CC=C2)F)O)O
CAS
Splash
Other Names 1-Cyclohexene-1-carboxamide, N-(3-amino-3-oxopropyl)-3-[[[(3-fluorophenyl)amino]carbonyl]amino]-4,5-dihydroxy-, (3R,4R,5R)-;
NAT2-252345

In Other Databases

ChemSpider 10040679
PubChem 11866346