5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-[4-[3-(pyrimidin-2-ylamino)phenyl]piperazin-1-yl]pentanoic acid

Systemtic Name: 5-oxidanylidene-2-(phenylmethoxycarbonylamino)-5-[4-[3-(pyrimidin-2-ylamino)phenyl]piperazin-1-yl]pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-oxo-5-[4-[3-(pyrimidin-2-ylamino)phenyl]piperazin-1-yl]pentanoic acid CAS Name: 5-oxo-2-(phenylmethoxycarbonylamino)-5-[4-[3-(2-pyrimidinylamino)phenyl]-1-piperazinyl]pentanoic acid IUPAC Name: 5-oxo-2-(phenylmethoxycarbonylamino)-5-[4-[3-(pyrimidin-2-ylamino)phenyl]piperazin-1-yl]pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-keto-5-[4-[3-(2-pyrimidylamino)phenyl]piperazino]valeric acid Formula: C27H30N6O5 MolecularWeight: 518.5643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)NC3=NC=CC=N3)C(=O)CCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)NC3=NC=CC=N3)C(=O)CCC(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

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