| SpectraBase Compound ID | 16n0kXMyBFM |
|---|---|
| InChI | InChI=1S/C29H37NO3/c1-21(16-17-25-23(3)13-10-18-29(25,4)5)11-9-12-22(2)19-27(31)30-26(28(32)33)20-24-14-7-6-8-15-24/h6-9,11-12,14-17,19,26H,10,13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b12-9+,17-16+,21-11+,22-19+ |
| InChIKey | KQFROUCLXDASFA-SLZPJANQSA-N |
| Mol Weight | 447.6 g/mol |
| Molecular Formula | C29H37NO3 |
| Exact Mass | 447.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 808l4FGNBai |
|---|---|
| Name | 15-[(1-Carboxy-2-phenylethyl)amino]retinal |
| CAS Registry Number | 97885-88-6 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H37NO3 |
| InChI | InChI=1S/C29H37NO3/c1-21(16-17-25-23(3)13-10-18-29(25,4)5)11-9-12-22(2)19-27(31)30-26(28(32)33)20-24-14-7-6-8-15-24/h6-9,11-12,14-17,19,26H,10,13,18,20H2,1-5H3,(H,30,31)(H,32,33)/b12-9+,17-16+,21-11+,22-19+ |
| InChIKey | KQFROUCLXDASFA-SLZPJANQSA-N |
| Molecular Weight | 447.619 g/mol |
| SMILES | N(C(\C=C\(\C=C\C=C\(\C=C\C1=C(C)CCCC1(C)C)C)C)=O)C(C(O)=O)Cc1ccccc1 |
| SPLASH | splash10-06dj-1920000000-b01fe4c7c8a4c9b4d73b |
| Source of Spectrum | W5-1989-36205-29331 |
| Synonyms | 2-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]-3-phenylpropanoic acid 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-phenyl-propanoic acid 2-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-3-phenyl-propionic acid L-phenylalanine, N-(3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenyl)-, (all-E)- N-Retinoyl DL-phenylalanine (all-trans) N-Retinoyl-dl-phenylalanine N-retinoyl-phe N-retinoylphenylalanine |
| Wiley ID | 1386990 |