5AR
Summary
| Name: | (2S)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid |
| Formula: | C10 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 242.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-[5-(4-aminobutyl)-1,3,4-oxadiazol-2-yl]butanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-4-[5-(4-azanylbutyl)-1,3,4-oxadiazol-2-yl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(N)CCc1nnc(o1)CCCCN)O |
| InChI | InChI | 1.03 | InChI=1S/C10H18N4O3/c11-6-2-1-3-8-13-14-9(17-8)5-4-7(12)10(15)16/h7H,1-6,11-12H2,(H,15,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | AXSUQOHGXNNCKE-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCc1oc(CC[C@H](N)C(O)=O)nn1 |
| SMILES | CACTVS | 3.385 | NCCCCc1oc(CC[CH](N)C(O)=O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CCN)Cc1nnc(o1)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CCN)Cc1nnc(o1)CCC(C(=O)O)N |
