ethyl (4S)-6-[[(3R)-3-acetamido-3-phenyl-propanoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[(3R)-3-acetamido-3-phenyl-propanoyl]oxymethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(3R)-3-acetamido-3-phenyl-propanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(3R)-3-acetamido-1-oxo-3-phenylpropoxy]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(3R)-3-acetamido-3-phenylpropanoyl]oxymethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(3R)-3-acetamido-3-phenyl-propanoyl]oxymethyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CC(C2=CC=CC=C2)NC(=O)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C[C@H](C2=CC=CC=C2)NC(=O)C)C(=O)OCC

InChI

InChI=1S/C21H27N3O6/c1-4-15-19(20(27)29-5-2)17(24-21(28)23-15)12-30-18(26)11-16(22-13(3)25)14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-12H2,1-3H3,(H,22,25)(H2,23,24,28)/t15-,16+/m0/s1