methyl (2R,3S)-3-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]pentanoate

Systemtic Name: methyl (2R,3S)-3-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]pentanoate Openeye Name: methyl (2R,3S)-3-methyl-2-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]pentanoate CAS Name: (2R,3S)-3-methyl-2-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanoate Traditional Name: (2R,3S)-3-methyl-2-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]valeric acid methyl ester Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1CCN(CC1)C2=CC=CC=N2

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)NC(=O)CN1CCN(CC1)C2=CC=CC=N2

InChI

InChI=1S/C18H28N4O3/c1-4-14(2)17(18(24)25-3)20-16(23)13-21-9-11-22(12-10-21)15-7-5-6-8-19-15/h5-8,14,17H,4,9-13H2,1-3H3,(H,20,23)/t14-,17+/m0/s1