BW5
Summary
| Name: | (2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid |
| Formula: | C13 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 223.311 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-3-(1-adamantyl)-2-azanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H21NO2/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11H,1-7,14H2,(H,15,16)/t8-,9+,10-,11-,13-/m0/s1 |
| InChIKey | InChI | 1.03 | ZAQXSMCYFQJRCQ-FBUUZDRASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC12CC3CC(CC(C3)C1)C2)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC12CC3CC(CC(C3)C1)C2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C2CC3CC1CC(C2)(C3)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C2CC3CC1CC(C2)(C3)CC(C(=O)O)N |
