KKA
Summary
| Name: | (2S)-2-azanyl-6-oxidanylidene-6-[[(2S)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid |
| Formula: | C10 H18 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 278.325 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-[(1S)-1-carboxy-3-sulfanylpropyl]-6-oxo-L-lysine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-6-oxidanylidene-6-[[(2S)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)CCS)CCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O5S/c11-6(9(14)15)2-1-3-8(13)12-7(4-5-18)10(16)17/h6-7,18H,1-5,11H2,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | SDIJIFRHLPSENI-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCC(=O)N[C@@H](CCS)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCC(=O)N[CH](CCS)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CCS)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(C(=O)O)N)CC(=O)NC(CCS)C(=O)O |
