(3R,4R,5R)-3-Acetamido-N-(3-amino-3-oxopropyl)-4,5-dihydroxy-1-cyclohexene-1-carboxamide
12747
Reference
(3R,4R,5R)-3-Acetamido-N-(3-amino-3-oxopropyl)-4,5-dihydroxy-1-cyclohexene-1-carboxamide Structure
Systematic / IUPAC Name: (3R,4R,5R)-3-Acetamido-N-(3-amino-3-oxopropyl)-4,5-dihydroxycyclohexene-1-carboxamide
ID: Reference12747
Other Names: NAT2-17147
Formula: C12H19N3O5
Spectral Data
(3R,4R,5R)-3-Acetamido-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 | 1514 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/12/2023 8:32:03 AM |
Identificators
| InChI | InChI=1S/C12H19N3O5/c1-6(16)15-8-4-7(5-9(17)11(8)19)12(20)14-3-2-10(13)18/h4,8-9,11,17,19H,2-3,5H2,1H3,(H2,13,18)(H,14,20)(H,15,16)/t8-,9-,11-/m1/s1 |
| InChI Key | VWRDMOHMVGZKHT-FXPVBKGRSA-N |
| Canonical SMILES | CC(=O)NC1C=C(CC(C1O)O)C(=O)NCCC(=O)N |
| CAS | |
| Splash | |
| Other Names | NAT2-17147 |