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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3/c1-11(13(19)20)17-14(21)15(2,3)18(4)10-7-12-5-8-16-9-6-12/h5-6,8-9,11H,7,10H2,1-4H3,(H,17,21)(H,19,20)/t11-/m0/s1