(2S,3S)-2,3-Diacetoxy-4-[({(1S,4S,6S)-4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)amino]-4-oxobutanoic acid
11917
Reference
(2S,3S)-2,3-Diacetoxy-4-[({(1S,4S,6S)-4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)amino]-4-oxobutanoic acid Structure
Systematic / IUPAC Name: (2S,3S)-2,3-Diacetyloxy-4-[[(1S,4S,6S)-4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-4-oxobutanoic acid
ID: Reference11917
Other Names: NAT28-346617
Formula: C26H33ClN4O7
Spectral Data
(2S,3S)-2,3-Diacetoxy-4-[({(1S,4S,6S)-4-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)amino]-4-oxobutanoic acid 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 | 1339 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/4/2022 8:57:18 AM |
Identificators
| InChI | InChI=1S/C26H33ClN4O7/c1-12(2)19-7-16(8-21-30-20-9-18(27)11-28-24(20)31-21)13(3)6-17(19)10-29-25(34)22(37-14(4)32)23(26(35)36)38-15(5)33/h6,9,11-12,16-17,19,22-23H,7-8,10H2,1-5H3,(H,29,34)(H,35,36)(H,28,30,31)/t16-,17-,19-,22-,23-/m0/s1 |
| InChI Key | UYEQTKAMZYDGOG-FXDJZMKRSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NC3=C(N2)C=C(C=N3)Cl)C(C)C)CNC(=O)C(C(C(=O)O)OC(=O)C)OC(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT28-346617 |