06J

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Summary

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
Formal charge:0
Molecular weight:434.574 Da
Component type:NON-POLYMER
Ambiguous Chemistry Warning:The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.370Cc1c2CCCN3CCC[C@@H]3CNc4cc(ccc4C(N)=O)n2c5CC(C)(C)CC(=O)c15
SMILESCACTVS3.370Cc1c2CCCN3CCC[CH]3CNc4cc(ccc4C(N)=O)n2c5CC(C)(C)CC(=O)c15
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N
SMILESOpenEye OEToolkits1.7.0Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NCC5CCCN5CCC2)C(=O)N
InChIInChI1.03InChI=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
InChIKeyInChI1.03WQTXERXALASGRT-GOSISDBHSA-N
169117
PDB entries from 2020-09-23