(2S,3S)-3-methyl-2-[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]ethanoylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]ethanoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[2-[methyl-[2-(4-pyridyl)ethyl]ammonio]acetyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[2-[methyl(2-pyridin-4-ylethyl)ammonio]-1-oxoethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]acetyl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[2-[methyl-[2-(4-pyridyl)ethyl]ammonio]acetyl]amino]valerate Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-4-12(2)15(16(21)22)18-14(20)11-19(3)10-7-13-5-8-17-9-6-13/h5-6,8-9,12,15H,4,7,10-11H2,1-3H3,(H,18,20)(H,21,22)/t12-,15-/m0/s1