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

Systemtic Name: (2S)-2-[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-[methyl-[2-(4-pyridyl)ethyl]ammonio]acetyl]amino]propanoate CAS Name: (2S)-2-[[2-[methyl(2-pyridin-4-ylethyl)ammonio]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-[methyl-[2-(4-pyridyl)ethyl]ammonio]acetyl]amino]propionate Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3/c1-10(13(18)19)15-12(17)9-16(2)8-5-11-3-6-14-7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,17)(H,18,19)/t10-/m0/s1