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

Systemtic Name: 4-[5-methyl-2-oxidanylidene-4-[3-(pyridin-2-ylamino)propylamino]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[5-methyl-2-oxo-4-[3-(2-pyridylamino)propylamino]pyrimidin-1-yl]butanoic acid CAS Name: 4-[5-methyl-2-oxo-4-[3-(2-pyridinylamino)propylamino]-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[5-methyl-2-oxo-4-[3-(pyridin-2-ylamino)propylamino]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[2-keto-5-methyl-4-[3-(2-pyridylamino)propylamino]pyrimidin-1-yl]butyric acid Formula: C25H30N6O5 MolecularWeight: 494.5429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1NCCCNC2=CC=CC=N2)CC(CC(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CN(C(=O)N=C1NCCCNC2=CC=CC=N2)CC(CC(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

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