phenylmethoxycarbonylamino 3-[[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate

Systemtic Name: phenylmethoxycarbonylamino 3-[[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoate Openeye Name: benzyloxycarbonylamino 3-[[4-[4-(pyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-[4-(2-pyrimidinylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 3-[[4-[4-(pyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoate Traditional Name: 3-[[4-[4-(2-pyrimidylamino)piperidino]benzoyl]amino]propionic acid benzyloxycarbonylamino ester Formula: C27H30N6O5 MolecularWeight: 518.5643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCCC(=O)ONC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=NC=CC=N2)C3=CC=C(C=C3)C(=O)NCCC(=O)ONC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N6O5/c34-24(38-32-27(36)37-19-20-5-2-1-3-6-20)11-16-28-25(35)21-7-9-23(10-8-21)33-17-12-22(13-18-33)31-26-29-14-4-15-30-26/h1-10,14-15,22H,11-13,16-19H2,(H,28,35)(H,32,36)(H,29,30,31)