06J
(3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide
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is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide |
Formula | C26 H34 N4 O2 |
Molecular Weight | 434.574 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N |
InChI | InChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-18(29)15-28-20-12-17(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,18,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t18-/m1/s1 |
InChIKey | WQTXERXALASGRT-GOSISDBHSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 66 |
Chiral Atom Count | 1 |
Bond Count | 70 |
Aromatic Bond Count | 12 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1738705 |
PubChem | 53326941 |
ChEMBL | CHEMBL1738705 |