2-oxidanyl-3-[[4-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-oxidanyl-3-[[4-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-hydroxy-3-[[4-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]benzoyl]amino]propanoic acid CAS Name: 2-hydroxy-3-[[oxo-[4-[4-(2-pyrimidinylmethyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-hydroxy-3-[[4-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 2-hydroxy-3-[[4-[4-(2-pyrimidylmethyl)piperazino]benzoyl]amino]propionic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCC(C(=O)O)O

InChI

InChI=1S/C19H23N5O4/c25-16(19(27)28)12-22-18(26)14-2-4-15(5-3-14)24-10-8-23(9-11-24)13-17-20-6-1-7-21-17/h1-7,16,25H,8-13H2,(H,22,26)(H,27,28)