N2-{[(3R,4R,5R)-4,5-dihydroxy-3-{[(4-methylphenyl)carbamoyl]amino}-1-cyclohexen-1-yl]carbonyl}-L-α-glutamine
10482
Reference
N2-{[(3R,4R,5R)-4,5-dihydroxy-3-{[(4-methylphenyl)carbamoyl]amino}-1-cyclohexen-1-yl]carbonyl}-L-α-glutamine Structure
Systematic / IUPAC Name: (4S)-5-Amino-4-[[(3R,4R,5R)-4,5-dihydroxy-3-[(4-methylphenyl)carbamoylamino]cyclohexene-1-carbonyl]amino]-5-oxopentanoic acid
ID: Reference10482
Other Names: NAT2-252417
Formula: C20H26N4O7
Spectral Data
N2-{[(3R,4R,5R)-4,5-dihydroxy-3-{[(4-methylphenyl)carbamoyl]amino}-1-cyclohexen-1-yl]carbonyl}-L-α-glutamine 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 | 3004 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/21/2021 12:38:45 PM |
Identificators
| InChI | InChI=1S/C20H26N4O7/c1-10-2-4-12(5-3-10)22-20(31)24-14-8-11(9-15(25)17(14)28)19(30)23-13(18(21)29)6-7-16(26)27/h2-5,8,13-15,17,25,28H,6-7,9H2,1H3,(H2,21,29)(H,23,30)(H,26,27)(H2,22,24,31)/t13-,14+,15+,17+/m0/s1 |
| InChI Key | YXAFTOWPHRUJFB-KLZNWCGWSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)NC(=O)NC2C=C(CC(C2O)O)C(=O)NC(CCC(=O)O)C(=O)N |
| CAS | |
| Splash | |
| Other Names | NAT2-252417 |