ALJ
Summary
| Name: | CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR |
| Synonyms: | N''-{3-[(3S,8AR)-1,4-DIOXOOCTAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]PROPYL}GUANIDINE |
| Formula: | C11 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 253.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-{3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine |
| OpenEye OEToolkits | 1.5.0 | 2-[3-[(3S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-d]pyrazin-3-yl]propyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N2C(C(=O)NC1CCC/N=C(\N)N)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(N)=NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O |
| SMILES | CACTVS | 3.341 | NC(N)=NCCC[CH]1NC(=O)[CH]2CCCN2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC2C(=O)NC(C(=O)N2C1)CCCN=C(N)N |
| InChI | InChI | 1.03 | InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | ZRJHYOXNWCMGMW-YUMQZZPRSA-N |
