[(1S,4S,5S)-5-Isopropyl-4-{[(3-methoxypropanoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetic acid
10355
Reference
[(1S,4S,5S)-5-Isopropyl-4-{[(3-methoxypropanoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetic acid Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-[(3-Methoxypropanoylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetic acid
ID: Reference10355
Other Names: NAT28-409041
Formula: C17H29NO4
Spectral Data
[(1S,4S,5S)-5-Isopropyl-4-{[(3-methoxypropanoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetic 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 | 2 |
| No. of Spectra | 1814 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/9/2021 12:56:39 PM |
Identificators
| InChI | InChI=1S/C17H29NO4/c1-11(2)15-8-13(9-17(20)21)12(3)7-14(15)10-18-16(19)5-6-22-4/h7,11,13-15H,5-6,8-10H2,1-4H3,(H,18,19)(H,20,21)/t13-,14-,15-/m0/s1 |
| InChI Key | XZODPXGEBARMBT-KKUMJFAQSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)O)C(C)C)CNC(=O)CCOC |
| CAS | |
| Splash | |
| Other Names | NAT28-409041 |