Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H27N3O3S/c1-14(22-9-10-23(31-22)17-8-6-5-7-16(17)13-28)25-24-18-11-20(29-3)21(30-4)12-19(18)26-15(2)27-24/h5-10,14,28H,11-13H2,1-4H3,(H,25,26,27)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | JDPGKGHUTNUNTG-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC1=C(Cc2c(C1)nc(C)nc2N[C@H](C)c3sc(cc3)c4ccccc4CO)OC |
SMILES | CACTVS | 3.385 | COC1=C(Cc2c(C1)nc(C)nc2N[CH](C)c3sc(cc3)c4ccccc4CO)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nc2c(c(n1)N[C@H](C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nc2c(c(n1)NC(C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC |