(3R,4R,5R)-3-{[(4-Acetylphenyl)carbamoyl]amino}-N-(3-amino-3-oxopropyl)-4,5-dihydroxy-1-cyclohexene-1-carboxamide
12823
Reference
(3R,4R,5R)-3-{[(4-Acetylphenyl)carbamoyl]amino}-N-(3-amino-3-oxopropyl)-4,5-dihydroxy-1-cyclohexene-1-carboxamide Structure
Systematic / IUPAC Name: (3R,4R,5R)-3-[(4-Acetylphenyl)carbamoylamino]-N-(3-amino-3-oxopropyl)-4,5-dihydroxycyclohexene-1-carboxamide
ID: Reference12823
Other Names: NAT2-252343
Formula: C19H24N4O6
Spectral Data
(3R,4R,5R)-3-{[(4-Acetylphenyl)carbamoyl]amino}-N-(3-amino-3-oxopropyl)-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.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2338 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/16/2023 4:01:53 PM |
Identificators
| InChI | InChI=1S/C19H24N4O6/c1-10(24)11-2-4-13(5-3-11)22-19(29)23-14-8-12(9-15(25)17(14)27)18(28)21-7-6-16(20)26/h2-5,8,14-15,17,25,27H,6-7,9H2,1H3,(H2,20,26)(H,21,28)(H2,22,23,29)/t14-,15-,17-/m1/s1 |
| InChI Key | FBCJISKOTBBSMD-BFYDXBDKSA-N |
| Canonical SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)NC2C=C(CC(C2O)O)C(=O)NCCC(=O)N |
| CAS | |
| Splash | |
| Other Names | NAT2-252343 |