YF5
Summary
| Name: | Agmatinamic acid |
| Synonyms: | (2R,3S,5S,6R)-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid AGA |
| Formula: | C10 H22 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 278.305 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{S},5~{S},6~{R})-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H22N4O5/c11-5(2-1-3-14-10(12)13)6(15)4-7(16)8(17)9(18)19/h5-8,15-17H,1-4,11H2,(H,18,19)(H4,12,13,14)/t5-,6+,7+,8-/m1/s1 |
| InChIKey | InChI | 1.06 | GRIHTJROSVTQAL-VGRMVHKJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](CCCNC(N)=N)[C@@H](O)C[C@H](O)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(N)=N)[CH](O)C[CH](O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NCCC[C@H]([C@H](C[C@@H]([C@H](C(=O)O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(C(CC(C(C(=O)O)O)O)O)N)CNC(=N)N |
