ethyl (4S)-6-[[(2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoyl]oxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[(2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoyl]oxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]-1-oxobutoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[[(2S)-3-methyl-2-(p-toluoylamino)butanoyl]oxymethyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C(C(C)C)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H31N3O6/c1-5-35-25(32)21-20(28-27(34)30-23(21)18-9-7-6-8-10-18)15-36-26(33)22(16(2)3)29-24(31)19-13-11-17(4)12-14-19/h6-14,16,22-23H,5,15H2,1-4H3,(H,29,31)(H2,28,30,34)/t22-,23-/m0/s1