POK
Summary
| Name: | 2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid |
| Formula: | C8 H16 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 232.237 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-5-[[~{N}-(2-hydroxy-2-oxoethyl)carbamimidoyl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H16N4O4/c9-5(7(15)16)2-1-3-11-8(10)12-4-6(13)14/h5H,1-4,9H2,(H,13,14)(H,15,16)(H3,10,11,12)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | AZYVWHCRKHJLRB-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(=N)NCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(=N)NCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(C(=O)O)N)CNC(=N)NCC(=O)O |
