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

Systemtic Name: 2-(phenylmethoxycarbonylamino)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-(phenylmethoxycarbonylamino)-3-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid Formula: C26H28N6O5 MolecularWeight: 504.53772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C26H28N6O5/c33-23(29-17-22(24(34)35)30-26(36)37-18-19-5-2-1-3-6-19)20-7-9-21(10-8-20)31-13-15-32(16-14-31)25-27-11-4-12-28-25/h1-12,22H,13-18H2,(H,29,33)(H,30,36)(H,34,35)