(2S)-2-[4-[methyl(2-pyridin-4-ylethyl)azaniumyl]butanoylamino]propanoate

Systemtic Name: (2S)-2-[4-[methyl(2-pyridin-4-ylethyl)azaniumyl]butanoylamino]propanoate Openeye Name: (2S)-2-[4-[methyl-[2-(4-pyridyl)ethyl]ammonio]butanoylamino]propanoate CAS Name: (2S)-2-[[4-[methyl(2-pyridin-4-ylethyl)ammonio]-1-oxobutyl]amino]propanoate IUPAC Name: (2S)-2-[4-[methyl(2-pyridin-4-ylethyl)azaniumyl]butanoylamino]propanoate Traditional Name: (2S)-2-[4-[methyl-[2-(4-pyridyl)ethyl]ammonio]butanoylamino]propionate Formula: C15H23N3O3 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)CCC[NH+](C)CCC1=CC=NC=C1

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)CCC[NH+](C)CCC1=CC=NC=C1

InChI

InChI=1S/C15H23N3O3/c1-12(15(20)21)17-14(19)4-3-10-18(2)11-7-13-5-8-16-9-6-13/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,17,19)(H,20,21)/t12-/m0/s1