LBP
Summary
| Name: | (2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid |
| Formula: | C8 H19 N2 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 302.285 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-(S-butyl-N-phosphonosulfonimidoyl)butanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-4-(S-butyl-N-phosphono-sulfonimidoyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=NP(=O)(O)O)(CCC(N)C(=O)O)CCCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCC[S@](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CCCC[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H19N2O6PS/c1-2-3-5-18(16,10-17(13,14)15)6-4-7(9)8(11)12/h7H,2-6,9H2,1H3,(H,11,12)(H2,13,14,15)/t7-,18-/m0/s1 |
| InChIKey | InChI | 1.03 | ZUVPFRZYYQZWPS-VIIUKITBSA-N |
