A1G
Summary
| Name: | (2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid |
| Formula: | C12 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 209.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-amino[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]acetic acid |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-(1-adamantyl)-2-azanyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(C13CC2CC(C1)CC(C2)C3)N |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)/t7-,8+,9-,10-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | NJRFVURYVWPLKB-VEOFNUSFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](C(O)=O)C12CC3CC(CC(C3)C1)C2 |
| SMILES | CACTVS | 3.385 | N[CH](C(O)=O)C12CC3CC(CC(C3)C1)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1C2CC3CC1CC(C2)(C3)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1C2CC3CC1CC(C2)(C3)C(C(=O)O)N |
