13N
Summary
| Name: | (5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE |
| Formula: | C25 H27 Cl N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 470.945 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (6E,11R)-15-chloro-16,18-dihydroxy-2,12-dioxo-N-(phenylmethyl)-3-azabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-11-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1cc(O)c2C(=O)NCC/C=C/CCC[C@H](C(=O)Cc2c1Cl)C(=O)NCc3ccccc3 |
| SMILES | CACTVS | 3.352 | Oc1cc(O)c2C(=O)NCCC=CCCC[CH](C(=O)Cc2c1Cl)C(=O)NCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CNC(=O)[C@@H]2CCC\C=C\CCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)CNC(=O)C2CCCC=CCCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O |
| InChI | InChI | 1.03 | InChI=1S/C25H27ClN2O5/c26-23-18-13-19(29)17(24(32)28-15-16-9-5-4-6-10-16)11-7-2-1-3-8-12-27-25(33)22(18)20(30)14-21(23)31/h1,3-6,9-10,14,17,30-31H,2,7-8,11-13,15H2,(H,27,33)(H,28,32)/b3-1+/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | POTAVWZRFSZHOW-XKKXFUJGSA-N |
