(2S)-3-methyl-2-[3-[methyl(2-pyridin-4-ylethyl)amino]propanoylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[3-[methyl(2-pyridin-4-ylethyl)amino]propanoylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[3-[methyl-[2-(4-pyridyl)ethyl]amino]propanoylamino]butanoic acid CAS Name: (2S)-3-methyl-2-[[3-[methyl(2-pyridin-4-ylethyl)amino]-1-oxopropyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[3-[methyl(2-pyridin-4-ylethyl)amino]propanoylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[3-[methyl-[2-(4-pyridyl)ethyl]amino]propanoylamino]butyric acid Formula: C16H25N3O3 MolecularWeight: 307.388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-12(2)15(16(21)22)18-14(20)7-11-19(3)10-6-13-4-8-17-9-5-13/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,18,20)(H,21,22)/t15-/m0/s1