B3P

Summary
Name:2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Formula:C11 H26 N2 O6
Formal charge:0
Formula weight:282.334 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042,2'-(propane-1,3-diyldiimino)bis[2-(hydroxymethyl)propane-1,3-diol]
OpenEye OEToolkits1.5.02-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCC(NCCCNC(CO)(CO)CO)(CO)CO
SMILES_CANONICALCACTVS3.341OCC(CO)(CO)NCCCNC(CO)(CO)CO
SMILESCACTVS3.341OCC(CO)(CO)NCCCNC(CO)(CO)CO
SMILES_CANONICALOpenEye OEToolkits1.5.0C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
SMILESOpenEye OEToolkits1.5.0C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
InChIInChI1.03InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
InChIKeyInChI1.03HHKZCCWKTZRCCL-UHFFFAOYSA-N

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PDB entries from 2021-06-16