0HZ
Summary
| Name: | amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium |
| Synonyms: | CI-4 [cyclo-(l-Arg-d-Pro)] |
| Formula: | C11 H20 N5 O2 |
| Formal charge: | 1 |
| Formula weight: | 254.309 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium |
| OpenEye OEToolkits | 1.5.0 | [[3-[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-d]pyrazin-3-yl]propylamino]-amino-methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N2C(C(=O)NC1CCCNC(=[NH2+])/N)CCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H]2CCCN2C1=O |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])NCCC[CH]1NC(=O)[CH]2CCCN2C1=O |
| 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)/p+1/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | ZRJHYOXNWCMGMW-JGVFFNPUSA-O |
