L06
Summary
| Name: | 5-{[AMINO(IMINO)METHYL]AMINO}-2-(SULFANYLMETHYL)PENTANOIC ACID |
| Formula: | C7 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 205.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-5-carbamimidamido-2-(sulfanylmethyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(CCCNC(=[N@H])N)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NCCC[C@@H](CS)C(O)=O |
| SMILES | CACTVS | 3.341 | NC(=N)NCCC[CH](CS)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](CS)C(=O)O)CNC(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(CS)C(=O)O)CNC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | JOVIPJZDTSYNNW-YFKPBYRVSA-N |
