(2S)-4-methyl-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[3-[methyl-(1-methyl-4-piperidyl)amino]propanoylamino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[3-[methyl-(1-methyl-4-piperidinyl)amino]-1-oxopropyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propanoylamino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[3-[methyl-(1-methyl-4-piperidyl)amino]propanoylamino]valeric acid Formula: C16H31N3O3 MolecularWeight: 313.43564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCN(C)C1CCN(CC1)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CCN(C)C1CCN(CC1)C

InChI

InChI=1S/C16H31N3O3/c1-12(2)11-14(16(21)22)17-15(20)7-10-19(4)13-5-8-18(3)9-6-13/h12-14H,5-11H2,1-4H3,(H,17,20)(H,21,22)/t14-/m0/s1