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ETG

Summary
Name:(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Formula:C29 H41 N3 O5 S
Formal charge:0
Formula weight:543.718 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S,5S,7S)-N-(2-{2-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethoxy]ethoxy}ethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
OpenEye OEToolkits1.7.0N-[2-[2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethoxy]ethoxy]ethyl]adamantane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCOCCOCCNC(=O)C35CC4CC(CC(C3)C4)C5
SMILES_CANONICALCACTVS3.370CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCOCCOCCNC(=O)[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4
SMILESCACTVS3.370CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCOCCOCCNC(=O)[C]34C[CH]5[CH2]C([CH2][CH](C5)C3)C4
SMILES_CANONICALOpenEye OEToolkits1.7.0CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4
SMILESOpenEye OEToolkits1.7.0CN(C)c1cccc2c1cccc2S(=O)(=O)NCCOCCOCCNC(=O)C34CC5CC(C3)CC(C5)C4
InChIInChI1.03InChI=1S/C29H41N3O5S/c1-32(2)26-7-3-6-25-24(26)5-4-8-27(25)38(34,35)31-10-12-37-14-13-36-11-9-30-28(33)29-18-21-15-22(19-29)17-23(16-21)20-29/h3-8,21-23,31H,9-20H2,1-2H3,(H,30,33)/t21-,22+,23-,29-
InChIKeyInChI1.03BPWBIQJYXZSEKW-SJNZTUBNSA-N

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PDB entries from 2024-07-17

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