JIZ
Summary
| Name: | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
| Formula: | C18 H18 N6 O3 S4 |
| Formal charge: | 0 |
| Formula weight: | 494.634 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H18N6O3S4/c1-7-16-22-10(4-29-16)13(25)19-8(2)17-23-12(5-30-17)15(27)21-9(3-28)18-24-11(6-31-18)14(26)20-7/h4-9,28H,3H2,1-2H3,(H,19,25)(H,20,26)(H,21,27)/t7-,8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | ZWMLZIGVMMBHAX-CIUDSAMLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)c3csc(n3)[C@H](CS)NC(=O)c4csc1n4 |
| SMILES | CACTVS | 3.385 | C[CH]1NC(=O)c2csc(n2)[CH](C)NC(=O)c3csc(n3)[CH](CS)NC(=O)c4csc1n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1c2nc(cs2)C(=O)N[C@H](c3nc(cs3)C(=O)N[C@H](c4nc(cs4)C(=O)N1)CS)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1c2nc(cs2)C(=O)NC(c3nc(cs3)C(=O)NC(c4nc(cs4)C(=O)N1)CS)C |
