N2-{[(3R,4R,5R)-3-(β-alanylamino)-4,5-dihydroxy-1-cyclohexen-1-yl]carbonyl}-D-leucinamide
11044
Reference
N2-{[(3R,4R,5R)-3-(β-alanylamino)-4,5-dihydroxy-1-cyclohexen-1-yl]carbonyl}-D-leucinamide Structure
Systematic / IUPAC Name: (3R,4R,5R)-N-[(2R)-1-Amino-4-methyl-1-oxopentan-2-yl]-3-(3-aminopropanoylamino)-4,5-dihydroxycyclohexene-1-carboxamide
ID: Reference11044
Other Names: NAT2-17479
Formula: C16H28N4O5
Spectral Data
N2-{[(3R,4R,5R)-3-(β-alanylamino)-4,5-dihydroxy-1-cyclohexen-1-yl]carbonyl}-D-leucinamide 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 | 2539 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/19/2021 12:17:13 PM |
Identificators
| InChI | InChI=1S/C16H28N4O5/c1-8(2)5-11(15(18)24)20-16(25)9-6-10(14(23)12(21)7-9)19-13(22)3-4-17/h6,8,10-12,14,21,23H,3-5,7,17H2,1-2H3,(H2,18,24)(H,19,22)(H,20,25)/t10-,11-,12-,14-/m1/s1 |
| InChI Key | UZHXYDPFSWRYPA-HKUMRIAESA-N |
| Canonical SMILES | CC(C)CC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)NC(=O)CCN |
| CAS | |
| Splash | |
| Other Names | NAT2-17479 |