(2S)-4-methyl-2-[2-[methyl(2-pyridin-4-ylethyl)amino]ethanoylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[2-[methyl(2-pyridin-4-ylethyl)amino]ethanoylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[2-[methyl-[2-(4-pyridyl)ethyl]amino]acetyl]amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[2-[methyl(2-pyridin-4-ylethyl)amino]-1-oxoethyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]amino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[[2-[methyl-[2-(4-pyridyl)ethyl]amino]acetyl]amino]valeric acid Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CN(C)CCC1=CC=NC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CN(C)CCC1=CC=NC=C1

InChI

InChI=1S/C16H25N3O3/c1-12(2)10-14(16(21)22)18-15(20)11-19(3)9-6-13-4-7-17-8-5-13/h4-5,7-8,12,14H,6,9-11H2,1-3H3,(H,18,20)(H,21,22)/t14-/m0/s1