OPR
Summary
| Name: | (5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid |
| Formula: | C9 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 230.264 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S)-5-amino-8-carbamimidamido-4-oxooctanoic acid |
| OpenEye OEToolkits | 1.7.0 | (5S)-5-azanyl-8-carbamimidamido-4-oxo-octanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(N)CCCNC(=[N@H])N)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCNC(N)=N)C(=O)CCC(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCNC(N)=N)C(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\N)/NCCC[C@@H](C(=O)CCC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(C(=O)CCC(=O)O)N)CNC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C9H18N4O3/c10-6(2-1-5-13-9(11)12)7(14)3-4-8(15)16/h6H,1-5,10H2,(H,15,16)(H4,11,12,13)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | AVCUSSJSPSVBEK-LURJTMIESA-N |
