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

Systemtic Name: ethyl (4S)-6-[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]oxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]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)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)COC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H31N3O6/c1-4-35-25(32)22-20(28-27(34)30-24(22)19-13-9-6-10-14-19)16-36-26(33)23(17(2)3)29-21(31)15-18-11-7-5-8-12-18/h5-14,17,23-24H,4,15-16H2,1-3H3,(H,29,31)(H2,28,30,34)/t23-,24-/m0/s1