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SBP

Summary
Name:[3-(1,3,2-DIOXABOROLAN-2-YLOXY)PROPYL]GUANIDINE
Formula:C6 H15 B N3 O3
Formal charge:1
Formula weight:188.013 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04amino{[3-(1,3,2-dioxaborolan-2-yloxy)propyl]amino}methaniminium
OpenEye OEToolkits1.5.0[amino-[3-(1,3,2-dioxaborolan-2-yloxy)propylamino]methylidene]azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(B1OCCO1)CCCNC(=[NH2+])\N
SMILES_CANONICALCACTVS3.341NC(=[NH2+])NCCCOB1OCCO1
SMILESCACTVS3.341NC(=[NH2+])NCCCOB1OCCO1
SMILES_CANONICALOpenEye OEToolkits1.5.0B1(OCCO1)OCCCNC(=[NH2+])N
SMILESOpenEye OEToolkits1.5.0B1(OCCO1)OCCCNC(=[NH2+])N
InChIInChI1.03InChI=1S/C6H14BN3O3/c8-6(9)10-2-1-3-11-7-12-4-5-13-7/h1-5H2,(H4,8,9,10)/p+1
InChIKeyInChI1.03QHANCKHXGBJANE-UHFFFAOYSA-O

218853

PDB entries from 2024-04-24

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