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BEQ

Summary
Name:N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
Synonyms:N-[3-(DODECANOYLAMINO)PROPYL]-N,N-DIMETHYLGLYCINATE
COCOAMIDOPROPYLBETAINE
Formula:C19 H38 N2 O3
Formal charge:0
Formula weight:342.517 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{[3-(dodecanoylamino)propyl](dimethyl)ammonio}acetate
OpenEye OEToolkits1.5.02-[3-(dodecanoylamino)propyl-dimethyl-azaniumyl]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]C(=O)C[N+](CCCNC(=O)CCCCCCCCCCC)(C)C
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O
SMILESCACTVS3.341CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-]
InChIInChI1.03InChI=1S/C19H38N2O3/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24/h4-17H2,1-3H3,(H-,20,22,23,24)
InChIKeyInChI1.03MRUAUOIMASANKQ-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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