A1EE0
Summary
| Name: | 3-[2-[3-[[(2R)-4-bis(oxidanyl)phosphanyloxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanylidene-propanoic acid |
| Formula: | C14 H25 N2 O9 P S |
| Formal charge: | 0 |
| Formula weight: | 428.395 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[2-[3-[[(2~{R})-4-bis(oxidanyl)phosphanyloxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanylidene-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H25N2O9PS/c1-14(2,8-25-26(23)24)12(21)13(22)16-4-3-9(17)15-5-6-27-11(20)7-10(18)19/h12,21,23-24H,3-8H2,1-2H3,(H,15,17)(H,16,22)(H,18,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | QBXXTHJPCPJSKA-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(COP(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(COP(O)O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(COP(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(COP(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O |
