A1A4Q
Summary
| Name: | Cladoniamide A |
| Formula: | C22 H16 Cl N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 437.833 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (5R,5aR,8aS)-10-chloro-5a,8a-dihydroxy-14-methoxy-7-methyl-8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione (non-preferred name) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1ccc2[NH]c3c4c(OC)c5ccccc5n4C4(O)C(=O)N(C)C(=O)C4(O)c3c2c1 |
| InChI | InChI | 1.06 | InChI=1S/C22H16ClN3O5/c1-25-19(27)21(29)15-12-9-10(23)7-8-13(12)24-16(15)17-18(31-2)11-5-3-4-6-14(11)26(17)22(21,30)20(25)28/h3-9,24,29-30H,1-2H3/t21-,22+/m1/s1 |
| InChIKey | InChI | 1.06 | DHOZHQLTBYYIIG-YADHBBJMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1c2ccccc2n3c1c4[nH]c5ccc(Cl)cc5c4[C@@]6(O)C(=O)N(C)C(=O)[C@@]36O |
| SMILES | CACTVS | 3.385 | COc1c2ccccc2n3c1c4[nH]c5ccc(Cl)cc5c4[C]6(O)C(=O)N(C)C(=O)[C]36O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)[C@@]2(c3c4cc(ccc4[nH]c3-c5c(c6ccccc6n5[C@@]2(C1=O)O)OC)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C2(c3c4cc(ccc4[nH]c3-c5c(c6ccccc6n5C2(C1=O)O)OC)Cl)O |
