00W
Summary
| Name: | 3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid |
| Formula: | C7 H16 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 204.227 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid |
| OpenEye OEToolkits | 1.7.0 | (2S,3S)-3-azanyl-6-carbamimidamido-2-hydroxy-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)C(N)CCCNC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCNC(N)=N)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCNC(N)=N)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\N)/NCCC[C@@H]([C@@H](C(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(C(C(=O)O)O)N)CNC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C7H16N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | FSZGZFKATFQIEP-WHFBIAKZSA-N |
