56A
Summary
| Name: | 3-(8-phenyloctyl)-L-histidine |
| Formula: | C20 H29 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 343.463 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(8-phenyloctyl)-L-histidine |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-3-[3-(8-phenyloctyl)imidazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc1cncn1CCCCCCCCc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1cncn1CCCCCCCCc2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1cncn1CCCCCCCCc2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CCCCCCCCn2cncc2C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CCCCCCCCn2cncc2CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C20H29N3O2/c21-19(20(24)25)14-18-15-22-16-23(18)13-9-4-2-1-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,15-16,19H,1-4,6,9-10,13-14,21H2,(H,24,25)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | SGGMABCRHMNPQX-IBGZPJMESA-N |
