LLE
Summary
| Name: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide |
| Formula: | C23 H39 N2 O13 P S |
| Formal charge: | 0 |
| Formula weight: | 614.6 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H39N2O13PS/c1-14(26)8-15(27)9-16(28)10-17(29)11-18(30)12-20(32)40-7-6-24-19(31)4-5-25-22(34)21(33)23(2,3)13-38-39(35,36)37/h9-11,20-21,27-29,32-33,35-37,39H,4-8,12-13H2,1-3H3,(H,24,31)(H,25,34)/b15-9-,16-10-,17-11-/t20-,21+/m1/s1 |
| InChIKey | InChI | 1.03 | FQZZDEAQTCCCMT-XOXVVNQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C/C(O)=C/C(O)=C/C(O)=C/C(=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[PH](O)(O)O |
| SMILES | CACTVS | 3.385 | CC(=O)CC(O)=CC(O)=CC(O)=CC(=O)C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O)/O)/O)/O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)CC(=CC(=CC(=CC(=O)CC(O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)(O)O)O)O)O)O |
