Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)Cn5ccc4cc(OCC1N(C(=O)CNC1)c3ccc(OCCCOCc2ccccc2OC)cc3)ccc45 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5n(CC(O)=O)ccc5c4 |
SMILES | CACTVS | 3.341 | COc1ccccc1COCCCOc2ccc(cc2)N3[CH](CNCC3=O)COc4ccc5n(CC(O)=O)ccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccccc1COCCCOc2ccc(cc2)N3C(CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C32H35N3O7/c1-39-30-6-3-2-5-24(30)21-40-15-4-16-41-27-9-7-25(8-10-27)35-26(18-33-19-31(35)36)22-42-28-11-12-29-23(17-28)13-14-34(29)20-32(37)38/h2-3,5-14,17,26,33H,4,15-16,18-22H2,1H3,(H,37,38)/t26-/m1/s1 |
InChIKey | InChI | 1.03 | VWRBPASGKKTVFT-AREMUKBSSA-N |