| PDB CCD ID: | A1IK8 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C28 H36 Cl N7 O4 S2 |
| InChI: | InChI=1S/C28H36ClN7O4S2/c29-22-8-9-23(37)24-25(22)41-28-34-42(39,40)20-14-21(26(32-16-20)33-18-10-11-31-15-18)27(38)35(12-2-1-3-13-36(24)28)19-6-4-17(30)5-7-19/h8-9,14,16-19,31,37H,1-7,10-13,15,30H2,(H,32,33)/b34-28-/t17-,18-,19+/m0/s1 |
| InChIKey: | GUJRHTGNXZSKIK-AOZLEVJBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(c2c(c1O)N3CCCCCN(C(=O)c4cc(cnc4NC5CCNC5)S(=O)(=O)N=C3S2)C6CCC(CC6)N)Cl | | CACTVS 3.385 | N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N[CH]5CCNC5)c(c4)C2=O)Sc6c(Cl)ccc(O)c36 | | CACTVS 3.385 | N[C@H]1CC[C@H](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N[C@H]5CCNC5)c(c4)C2=O)Sc6c(Cl)ccc(O)c36 | | OpenEye OEToolkits 2.0.7 | c1cc(c2c(c1O)N\3CCCCCN(C(=O)c4cc(cnc4N[C@H]5CCNC5)S(=O)(=O)/N=C3\S2)C6CCC(CC6)N)Cl |
|
| Name: | (3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-[[(3S)-pyrrolidin-3-yl]amino]-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one |
