H15
Summary
Name: | N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide |
Formula: | C25 H43 N O3 |
Formal charge: | 0 |
Formula weight: | 405.614 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide |
OpenEye OEToolkits | 1.5.0 | N-[(2R)-1,4-dihydroxy-4-phenyl-butan-2-yl]pentadecanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCC(=O)N[CH](CO)C[CH](O)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO |
InChI | InChI | 1.03 | InChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(29)26-23(21-27)20-24(28)22-17-14-13-15-18-22/h13-15,17-18,23-24,27-28H,2-12,16,19-21H2,1H3,(H,26,29)/t23-,24-/m1/s1 |
InChIKey | InChI | 1.03 | LFNPKXLKUQCCJV-DNQXCXABSA-N |