V0F
Summary
| Name: | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione |
| Formula: | C18 H23 N O4 |
| Formal charge: | 0 |
| Formula weight: | 317.38 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H23NO4/c1-12-6-5-9-14(20)8-4-2-3-7-13-10-15(21)11-16(22)17(13)18(23)19-12/h3,7,10-12,21-22H,2,4-6,8-9H2,1H3,(H,19,23)/b7-3+/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | MPCXTULDOJSSIB-QBODLPLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)N1 |
| SMILES | CACTVS | 3.385 | C[CH]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)N1)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)N1)O)O |
