(2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridin-3-yl-ethanoic acid

Systemtic Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridin-3-yl-ethanoic acid Openeye Name: (2S)-2-(4-tert-butoxycarbonylpiperazin-1-yl)-2-(3-pyridyl)acetic acid CAS Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-(3-pyridinyl)acetic acid IUPAC Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridin-3-ylacetic acid Traditional Name: (2S)-2-(4-tert-butoxycarbonylpiperazino)-2-(3-pyridyl)acetic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CN=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)[C@@H](C2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-9-7-18(8-10-19)13(14(20)21)12-5-4-6-17-11-12/h4-6,11,13H,7-10H2,1-3H3,(H,20,21)/t13-/m0/s1