| SpectraBase Spectrum ID |
IVYmKhE3luz |
| Name |
(R)-3-Dibenzylamino-pentanoic acid ((1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-amide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.277678405 u |
| Formula |
C29H36N2O2 |
| InChI |
InChI=1S/C29H36N2O2/c1-4-27(20-28(32)30(3)23(2)29(33)26-18-12-7-13-19-26)31(21-24-14-8-5-9-15-24)22-25-16-10-6-11-17-25/h5-19,23,27,29,33H,4,20-22H2,1-3H3/t23-,27+,29+/m0/s1 |
| InChIKey |
XWSAFRLIGAXWHB-TZIIFLTASA-N |
| Molecular Weight |
444.619 g/mol |
| SMILES |
C(N([C@]([C@](C=1C=CC=CC1)(O)[H])(C)[H])C)(C[C@](N(CC=1C=CC=CC1)CC=1C=CC=CC1)(CC)[H])=O |
