3-[5-methyl-2-oxidanylidene-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[5-methyl-2-oxidanylidene-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[5-methyl-2-oxo-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]propanoic acid CAS Name: 3-[5-methyl-2-oxo-4-[2-(2-pyridinylamino)ethylamino]-1-pyrimidinyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[5-methyl-2-oxo-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[2-keto-5-methyl-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]propionic acid Formula: C23H26N6O5 MolecularWeight: 466.48974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O5/c1-16-13-29(22(32)28-20(16)26-12-11-25-19-9-5-6-10-24-19)14-18(21(30)31)27-23(33)34-15-17-7-3-2-4-8-17/h2-10,13,18H,11-12,14-15H2,1H3,(H,24,25)(H,27,33)(H,30,31)(H,26,28,32)