Nα-{[(1S,3S,4R,5R)-3-(2-furoylamino)-1,4,5-trihydroxycyclohexyl]carbonyl}-D-phenylalaninamide
13053
Reference
Nα-{[(1S,3S,4R,5R)-3-(2-furoylamino)-1,4,5-trihydroxycyclohexyl]carbonyl}-D-phenylalaninamide Structure
Systematic / IUPAC Name: N-[(1S,2R,3R,5S)-5-[[(2R)-1-Amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2,3,5-trihydroxycyclohexyl]furan-2-carboxamide
ID: Reference13053
Other Names: NAT2-252543
Formula: C21H25N3O7
Spectral Data
Nα-{[(1S,3S,4R,5R)-3-(2-furoylamino)-1,4,5-trihydroxycyclohexyl]carbonyl}-D-phenylalaninamide 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 | 1180 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/7/2024 1:10:44 PM |
Identificators
| InChI | InChI=1S/C21H25N3O7/c22-18(27)13(9-12-5-2-1-3-6-12)24-20(29)21(30)10-14(17(26)15(25)11-21)23-19(28)16-7-4-8-31-16/h1-8,13-15,17,25-26,30H,9-11H2,(H2,22,27)(H,23,28)(H,24,29)/t13-,14+,15-,17-,21+/m1/s1 |
| InChI Key | UAQXGMWGUBMZSK-VBIMBARYSA-N |
| Canonical SMILES | C1C(C(C(CC1(C(=O)NC(CC2=CC=CC=C2)C(=O)N)O)O)O)NC(=O)C3=CC=CO3 |
| CAS | |
| Splash | |
| Other Names | NAT2-252543 |