methyl (2S)-2-[3-(6-methyl-2-morpholin-4-yl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-(6-methyl-2-morpholin-4-yl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-(6-methyl-2-morpholino-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[6-methyl-2-(4-morpholinyl)-4-oxo-1H-pyrimidin-5-yl]-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(6-methyl-2-morpholin-4-yl-4-oxo-1H-pyrimidin-5-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(4-keto-6-methyl-2-morpholino-1H-pyrimidin-5-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCOCC2)CCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCOCC2)CCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H28N4O5/c1-15-17(20(28)25-22(23-15)26-10-12-31-13-11-26)8-9-19(27)24-18(21(29)30-2)14-16-6-4-3-5-7-16/h3-7,18H,8-14H2,1-2H3,(H,24,27)(H,23,25,28)/t18-/m0/s1