4ST
Summary
| Name: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE |
| Synonyms: | AFN941 |
| Formula: | C28 H30 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 470.563 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13,15,16-decahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C4NCc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8CCCCc8n2c7c35 |
| SMILES | CACTVS | 3.341 | CN[CH]1C[CH]2O[C](C)([CH]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8CCCCc8n2c7c35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC12C(C(CC(O1)n3c4c(c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)CCCC4)NC)OC |
| InChI | InChI | 1.03 | InChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,17,20,26,29H,4,6,8,10,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 |
| InChIKey | InChI | 1.03 | KIZWKTROWIIMNN-FYTWVXJKSA-N |
