PDB Chemical Component NBA

Ideal Model

Chemical Description

Name 3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL
Formula C10 H25 N3 O2
Formal charge 0
Molecular weight 219.324 g/mol
Component type NON-POLYMER

Chemical features

Atom count 40
Chiral atom count 0
Observed leaving atoms O4L
Bond count 39
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol
Systematic name (OpenEye OEToolkits) 3-[3-(3-methylaminopropylamino)propylamino]propane-1,1-diol

Chemical Descriptors

Stereo SMILES (CACTVS) CNCCCNCCCNCCC(O)O
SMILES (CACTVS) CNCCCNCCCNCCC(O)O
Stereo SMILES (OpenEye) CNCCCNCCCNCCC(O)O
InChI descriptor InChI=1/C10H25N3O2/c1-11-5-2-6-12-7-3-8-13-9-4-10(14)15/h10-15H,2-9H2,1H3
InChIKey descriptor PTLIEDFKZYQZEI-UHFFFAOYAQ

Status Information

Last modified 2008-10-14
Created 2001-01-29
Release status REL
Model PDB code 1H84
Processing site EBI