00Y
Summary
| Name: | 1-[(4S,5S)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine |
| Formula: | C9 H17 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 243.329 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(4S,5S)-4-amino-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine |
| OpenEye OEToolkits | 1.7.0 | 1-[(4S,5S)-4-azanyl-5-hydroxy-5-(1,3-thiazol-2-yl)pentyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(c1nccs1)C(N)CCCNC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCNC(N)=N)[C@H](O)c1sccn1 |
| SMILES | CACTVS | 3.370 | N[CH](CCCNC(N)=N)[CH](O)c1sccn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1csc(n1)[C@H]([C@H](CCCNC(=N)N)N)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1csc(n1)C(C(CCCNC(=N)N)N)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17N5OS/c10-6(2-1-3-14-9(11)12)7(15)8-13-4-5-16-8/h4-7,15H,1-3,10H2,(H4,11,12,14)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | IWSANKKIFMAJIF-BQBZGAKWSA-N |
