2-[[(2S)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-3-methyl-2-[methyl-[2-(4-pyridyl)ethyl]amino]butanoyl]amino]acetic acid CAS Name: 2-[[(2S)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[(2S)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-3-methyl-2-[methyl-[2-(4-pyridyl)ethyl]amino]butanoyl]amino]acetic acid Formula: C15H23N3O3 MolecularWeight: 293.36142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(=O)O)N(C)CCC1=CC=NC=C1

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3/c1-11(2)14(15(21)17-10-13(19)20)18(3)9-6-12-4-7-16-8-5-12/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,17,21)(H,19,20)/t14-/m0/s1