methyl (2S)-3-phenyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]propionic acid methyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H25N5O3/c1-28-19(27)17(14-16-6-3-2-4-7-16)23-18(26)15-24-10-12-25(13-11-24)20-21-8-5-9-22-20/h2-9,17H,10-15H2,1H3,(H,23,26)/t17-/m0/s1