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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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