F3R
Summary
| Name: | N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide |
| Formula: | C12 H20 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 280.326 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-(cyclohexylacetyl)-N-1H-tetrazol-5-yl-L-alaninamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(2-cyclohexylethanoylamino)-~{N}-(1~{H}-1,2,3,4-tetrazol-5-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1nnn[NH]1)C(C)NC(=O)CC1CCCCC1 |
| InChI | InChI | 1.03 | InChI=1S/C12H20N6O2/c1-8(11(20)14-12-15-17-18-16-12)13-10(19)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,13,19)(H2,14,15,16,17,18,20)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | BNGVCLIJCHQJSI-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc2[nH]nnn2 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)CC1CCCCC1)C(=O)Nc2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)Nc1[nH]nnn1)NC(=O)CC2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)Nc1[nH]nnn1)NC(=O)CC2CCCCC2 |
