JM4
Summary
| Name: | N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine |
| Formula: | C11 H23 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 261.384 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | N~5~-[(1Z)-3-(propan-2-ylsulfanyl)propanimidoyl]-L-ornithine |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-azanyl-5-(3-propan-2-ylsulfanylpropanimidoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C(N)CCCNC(=[N@H])CCSC(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)SCCC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.352 | CC(C)SCCC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/CCSC(C)C)\NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)SCCC(=N)NCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H23N3O2S/c1-8(2)17-7-5-10(13)14-6-3-4-9(12)11(15)16/h8-9H,3-7,12H2,1-2H3,(H2,13,14)(H,15,16)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | YRGYNHWJLFBYTL-VIFPVBQESA-N |
