JM6
Summary
| Name: | N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine |
| Formula: | C10 H21 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 247.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | N~5~-[(1Z)-4-(methylsulfanyl)butanimidoyl]-L-ornithine |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-azanyl-5-(4-methylsulfanylbutanimidoylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C(N)CCCNC(=[N@H])CCCSC |
| SMILES_CANONICAL | CACTVS | 3.352 | CSCCCC(=N)NCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.352 | CSCCCC(=N)NCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/CCCSC)\NCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CSCCCC(=N)NCCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H21N3O2S/c1-16-7-3-5-9(12)13-6-2-4-8(11)10(14)15/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | BHXCYHGJTSQWOB-QMMMGPOBSA-N |
