(1S,3S,4R,5R)-3-Acetamido-N-[(2S)-1-amino-4-(methylsulfonyl)-1-oxo-2-butanyl]-1,4,5-trihydroxycyclohexanecarboxamide
13073
Reference
(1S,3S,4R,5R)-3-Acetamido-N-[(2S)-1-amino-4-(methylsulfonyl)-1-oxo-2-butanyl]-1,4,5-trihydroxycyclohexanecarboxamide Structure
Systematic / IUPAC Name: (1S,3S,4R,5R)-3-Acetamido-N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]-1,4,5-trihydroxycyclohexane-1-carboxamide
ID: Reference13073
Other Names: NAT2-215127
Formula: C14H25N3O8S
Spectral Data
(1S,3S,4R,5R)-3-Acetamido-N-[(2S)-1-amino-4-(methylsulfonyl)-1-oxo-2-butanyl]-1,4,5-trihydroxycyclohexanecarboxamide 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 | 1475 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/22/2024 3:03:26 PM |
Identificators
| InChI | InChI=1S/C14H25N3O8S/c1-7(18)16-9-5-14(23,6-10(19)11(9)20)13(22)17-8(12(15)21)3-4-26(2,24)25/h8-11,19-20,23H,3-6H2,1-2H3,(H2,15,21)(H,16,18)(H,17,22)/t8-,9-,10+,11+,14-/m0/s1 |
| InChI Key | DADAEORYKYWIOG-MCSZRVDOSA-N |
| Canonical SMILES | CC(=O)NC1CC(CC(C1O)O)(C(=O)NC(CCS(=O)(=O)C)C(=O)N)O |
| CAS | |
| Splash | |
| Other Names | NAT2-215127 |