5-[5-methyl-2-oxidanylidene-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[5-methyl-2-oxidanylidene-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-5-[5-methyl-2-oxo-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]pentanoic acid CAS Name: 5-[5-methyl-2-oxo-4-[2-(2-pyridinylamino)ethylamino]-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[5-methyl-2-oxo-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-5-[2-keto-5-methyl-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]valeric acid Formula: C25H30N6O5 MolecularWeight: 494.5429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1NCCNC2=CC=CC=N2)CCCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CN(C(=O)N=C1NCCNC2=CC=CC=N2)CCCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N6O5/c1-18-16-31(24(34)30-22(18)28-14-13-27-21-11-5-6-12-26-21)15-7-10-20(23(32)33)29-25(35)36-17-19-8-3-2-4-9-19/h2-6,8-9,11-12,16,20H,7,10,13-15,17H2,1H3,(H,26,27)(H,29,35)(H,32,33)(H,28,30,34)