3-[6-(4-pyridin-3-ylbutylamino)hexanoylamino]propanoic acid

Systemtic Name: 3-[6-(4-pyridin-3-ylbutylamino)hexanoylamino]propanoic acid Openeye Name: 3-[6-[4-(3-pyridyl)butylamino]hexanoylamino]propanoic acid CAS Name: 3-[[1-oxo-6-[4-(3-pyridinyl)butylamino]hexyl]amino]propanoic acid IUPAC Name: 3-[6-(4-pyridin-3-ylbutylamino)hexanoylamino]propanoic acid Traditional Name: 3-[6-[4-(3-pyridyl)butylamino]hexanoylamino]propionic acid Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCNCCCCCC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CCCCNCCCCCC(=O)NCCC(=O)O

InChI

InChI=1S/C18H29N3O3/c22-17(21-14-10-18(23)24)9-2-1-4-11-19-12-5-3-7-16-8-6-13-20-15-16/h6,8,13,15,19H,1-5,7,9-12,14H2,(H,21,22)(H,23,24)