VIR
Summary
| Name: | VIRGINIAMYCIN M1 |
| Formula: | C28 H35 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 525.593 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,4R,5E,10E,12E,14S)-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2N1C(=CCC1)C(=O)OC(C(C=CC(=O)NCC=CC(=CC(O)CC(=O)Cc3nc2co3)C)C)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[C@H](O)\C=C(C)\C=C\CNC(=O)\C=C\[C@H]1C)n3 |
| SMILES | CACTVS | 3.341 | CC(C)[CH]1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1\C=C\C(=O)NC\C=C\C(=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)\C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C |
| InChI | InChI | 1.03 | InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1 |
| InChIKey | InChI | 1.03 | DAIKHDNSXMZDCU-FQTGFAPKSA-N |
