(3S)-1-[5-(4-azanylbutanoylamino)pyridin-2-yl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[5-(4-azanylbutanoylamino)pyridin-2-yl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[5-(4-aminobutanoylamino)-2-pyridyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[5-[(4-amino-1-oxobutyl)amino]-2-pyridinyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[5-(4-aminobutanoylamino)pyridin-2-yl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[5-(4-aminobutanoylamino)-2-pyridyl]nipecotic acid Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)NC(=O)CCCN)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=C(C=C2)NC(=O)CCCN)C(=O)O

InChI

InChI=1S/C15H22N4O3/c16-7-1-4-14(20)18-12-5-6-13(17-9-12)19-8-2-3-11(10-19)15(21)22/h5-6,9,11H,1-4,7-8,10,16H2,(H,18,20)(H,21,22)/t11-/m0/s1