(1S,3R,4R,5S)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-1,3,4-trihydroxy-5-{[(4-methylphenyl)carbamoyl]amino}cyclohexanecarboxamide
8914
Reference
(1S,3R,4R,5S)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-1,3,4-trihydroxy-5-{[(4-methylphenyl)carbamoyl]amino}cyclohexanecarboxamide Structure
Systematic / IUPAC Name: (1S,3R,4R,5S)-N-[(2R)-1-Amino-1-oxopropan-2-yl]-1,3,4-trihydroxy-5-[(4-methylphenyl)carbamoylamino]cyclohexane-1-carboxamide
ID: Reference8914
Other Names: NAT2-252466
Formula: C18H26N4O6
Spectral Data
(1S,3R,4R,5S)-N-[(2R)-1-Amino-1-oxo-2-propanyl]-1,3,4-trihydroxy-5-{[(4-methylphenyl)carbamoyl]amino}cyclohexanecarboxamide 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 FAIMS |
| No. of Spectral Trees | 2 |
| No. of Spectra | 4400 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/21/2023 12:46:04 PM |
Identificators
| InChI | InChI=1S/C18H26N4O6/c1-9-3-5-11(6-4-9)21-17(27)22-12-7-18(28,8-13(23)14(12)24)16(26)20-10(2)15(19)25/h3-6,10,12-14,23-24,28H,7-8H2,1-2H3,(H2,19,25)(H,20,26)(H2,21,22,27)/t10-,12+,13-,14-,18+/m1/s1 |
| InChI Key | HDNZXHPGJIKYQD-PWFODCCWSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)NC(=O)NC2CC(CC(C2O)O)(C(=O)NC(C)C(=O)N)O |
| CAS | |
| Splash | |
| Other Names | NAT2-252466 |