(3R,4R,5R)-N-(2-Amino-2-oxoethyl)-4,5-dihydroxy-3-[(N-methyl-L-valyl)amino]-1-cyclohexene-1-carboxamide
10812
Reference
(3R,4R,5R)-N-(2-Amino-2-oxoethyl)-4,5-dihydroxy-3-[(N-methyl-L-valyl)amino]-1-cyclohexene-1-carboxamide Structure
Systematic / IUPAC Name: (3R,4R,5R)-N-(2-Amino-2-oxoethyl)-4,5-dihydroxy-3-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]cyclohexene-1-carboxamide
ID: Reference10812
Other Names: NAT2-17374
Formula: C15H26N4O5
Spectral Data
(3R,4R,5R)-N-(2-Amino-2-oxoethyl)-4,5-dihydroxy-3-[(N-methyl-L-valyl)amino]-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 | 1220 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/2/2021 8:24:41 AM |
Identificators
| InChI | InChI=1S/C15H26N4O5/c1-7(2)12(17-3)15(24)19-9-4-8(5-10(20)13(9)22)14(23)18-6-11(16)21/h4,7,9-10,12-13,17,20,22H,5-6H2,1-3H3,(H2,16,21)(H,18,23)(H,19,24)/t9-,10-,12+,13-/m1/s1 |
| InChI Key | UPLNRXIAJBIVIT-VCDKRKBESA-N |
| Canonical SMILES | CC(C)C(C(=O)NC1C=C(CC(C1O)O)C(=O)NCC(=O)N)NC |
| CAS | |
| Splash | |
| Other Names | NAT2-17374 |