4JK
Summary
| Name: | (S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID |
| Formula: | C7 H15 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 189.212 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~5~-[(1E)-2-hydroxyethanimidoyl]-L-ornithine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-5-(2-oxidanylethanimidoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCNC(=[N@H])CO |
| InChI | InChI | 1.03 | InChI=1S/C7H15N3O3/c8-5(7(12)13)2-1-3-10-6(9)4-11/h5,11H,1-4,8H2,(H2,9,10)(H,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | TXBVSXZGQDGYCU-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCNC(=N)CO)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCNC(=N)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\CO)/NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(C(=O)O)N)CNC(=N)CO |
