5A6
Summary
| Name: | (2S)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid |
| Formula: | C11 H20 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 256.301 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-4-[5-(5-azanylpentyl)-1,3,4-oxadiazol-2-yl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(N)CCc1nnc(CCCCCN)o1)O |
| InChI | InChI | 1.03 | InChI=1S/C11H20N4O3/c12-7-3-1-2-4-9-14-15-10(18-9)6-5-8(13)11(16)17/h8H,1-7,12-13H2,(H,16,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | XXNJPPZYKMFZTO-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCCCc1oc(CC[C@H](N)C(O)=O)nn1 |
| SMILES | CACTVS | 3.385 | NCCCCCc1oc(CC[CH](N)C(O)=O)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CCc1nnc(o1)CCC(C(=O)O)N)CCN |
