HM9
Summary
| Name: | 6-(3-CARBAMIMIDAMIDOPROPYL)-3,5-DIHYDROXYPYRAZINE-2-CARBOTHIOIC S-ACID |
| Formula: | C9 H13 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 271.296 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(3-carbamimidamidopropyl)-3,5-dihydroxypyrazine-2-carbothioic S-acid |
| OpenEye OEToolkits | 1.7.0 | 6-(3-carbamimidamidopropyl)-3,5-dihydroxy-pyrazine-2-carbothioic S-acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(S)c1nc(c(O)nc1O)CCCNC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)NCCCc1nc(C(S)=O)c(O)nc1O |
| SMILES | CACTVS | 3.370 | NC(=N)NCCCc1nc(C(S)=O)c(O)nc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C9H13N5O3S/c10-9(11)12-3-1-2-4-6(15)14-7(16)5(13-4)8(17)18/h1-3H2,(H,17,18)(H4,10,11,12)(H2,14,15,16) |
| InChIKey | InChI | 1.03 | PSYKANVHSUDXBZ-UHFFFAOYSA-N |
