2-azanyl-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 2-amino-3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 2-amino-3-[[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C18H22N6O3 MolecularWeight: 370.40568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCC(C(=O)O)N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCC(C(=O)O)N)C3=NC=CC=N3

InChI

InChI=1S/C18H22N6O3/c19-15(17(26)27)12-22-16(25)13-2-4-14(5-3-13)23-8-10-24(11-9-23)18-20-6-1-7-21-18/h1-7,15H,8-12,19H2,(H,22,25)(H,26,27)