WEZ
Summary
| Name: | N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine |
| Formula: | C8 H16 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 216.238 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine |
| OpenEye OEToolkits | 2.0.7 | 1-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]-3-[(1~{S})-1-oxidanyl-2-oxidanylidene-ethyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(N)CCCNC(=N)NC(O)C=O |
| InChI | InChI | 1.06 | InChI=1S/C8H16N4O3/c9-6(4-13)2-1-3-11-8(10)12-7(15)5-14/h4-7,15H,1-3,9H2,(H3,10,11,12)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.06 | TWQSZMYTEFCVLR-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(=N)N[C@@H](O)C=O)C=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(=N)N[CH](O)C=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(C[C@@H](C=O)N)CNC(=N)N[C@H](C=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(C=O)N)CNC(=N)NC(C=O)O |
