phenylmethoxycarbonylamino 3-[[4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: phenylmethoxycarbonylamino 3-[[4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: benzyloxycarbonylamino 3-[[4-(2-methyl-4-pyrimidin-2-yl-piperazin-1-yl)benzoyl]amino]propanoate CAS Name: 3-[[[4-[2-methyl-4-(2-pyrimidinyl)-1-piperazinyl]phenyl]-oxomethyl]amino]propanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 3-[[4-(2-methyl-4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: 3-[[4-[2-methyl-4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid benzyloxycarbonylamino ester Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C(=O)NCCC(=O)ONC(=O)OCC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C(=O)NCCC(=O)ONC(=O)OCC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C27H30N6O5/c1-20-18-32(26-29-13-5-14-30-26)16-17-33(20)23-10-8-22(9-11-23)25(35)28-15-12-24(34)38-31-27(36)37-19-21-6-3-2-4-7-21/h2-11,13-14,20H,12,15-19H2,1H3,(H,28,35)(H,31,36)