| SpectraBase Compound ID | BI5ZiEDwnf6 |
|---|---|
| InChI | InChI=1S/C21H31N3O3/c1-15(25)23-19(14-17-11-7-4-8-12-17)21(27)24-18(20(26)22-2)13-16-9-5-3-6-10-16/h3,5-6,9-10,17-19H,4,7-8,11-14H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t18-,19-/m1/s1 |
| InChIKey | LVSJQOUAINEWEI-RTBURBONSA-N |
| Mol Weight | 373.5 g/mol |
| Molecular Formula | C21H31N3O3 |
| Exact Mass | 373.236542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J4uqQ80iKcm |
|---|---|
| Name | N-ACETYL-D-CYCLOHEXYLALANYL-D-PHENYLALANINE-N-METHYLAMIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31N3O3 |
| InChI | InChI=1S/C21H31N3O3/c1-15(25)23-19(14-17-11-7-4-8-12-17)21(27)24-18(20(26)22-2)13-16-9-5-3-6-10-16/h3,5-6,9-10,17-19H,4,7-8,11-14H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t18-,19-/m1/s1 |
| InChIKey | LVSJQOUAINEWEI-RTBURBONSA-N |
| Literature Reference Author | J.T.GOODWIN,R.A.CONRADI,N.F.H.HO,P.S.BURTON |
| Literature Reference Citation | J.MED.CHEM.,44,3721(2001) |
| Literature Reference DOI | 10.1021/jm010253i |
| Molecular Weight | 373.495 g/mol |
| Sample ID | 45123 |
| Solvent | DMSO-D6:TFA-D1=7:3 |