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

Systemtic Name: 4-[5-methyl-2-oxidanylidene-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-[5-methyl-2-oxo-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]butanoic acid CAS Name: 4-[5-methyl-2-oxo-4-[2-(2-pyridinylamino)ethylamino]-1-pyrimidinyl]-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[5-methyl-2-oxo-4-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-1-yl]-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-[2-keto-5-methyl-4-[2-(2-pyridylamino)ethylamino]pyrimidin-1-yl]butyric acid Formula: C24H28N6O5 MolecularWeight: 480.51632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N6O5/c1-17-14-30(23(33)29-22(17)27-12-11-26-20-9-5-6-10-25-20)15-19(13-21(31)32)28-24(34)35-16-18-7-3-2-4-8-18/h2-10,14,19H,11-13,15-16H2,1H3,(H,25,26)(H,28,34)(H,31,32)(H,27,29,33)