ethyl 4-[(2S)-5-ethoxy-5-oxidanylidene-2-[[6-(2-oxidanylpropan-2-yl)-2-phenyl-pyrimidin-4-yl]carbonylamino]pentanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-5-ethoxy-5-oxidanylidene-2-[[6-(2-oxidanylpropan-2-yl)-2-phenyl-pyrimidin-4-yl]carbonylamino]pentanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-5-ethoxy-2-[[6-(1-hydroxy-1-methyl-ethyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-oxo-pentanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-5-ethoxy-2-[[[6-(2-hydroxypropan-2-yl)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-1,5-dioxopentyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-5-ethoxy-2-[[6-(2-hydroxypropan-2-yl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-5-ethoxy-2-[[6-(1-hydroxy-1-methyl-ethyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-keto-pentanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C28H37N5O7 MolecularWeight: 555.62268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)N1CCN(CC1)C(=O)OCC)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)C(C)(C)O

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)N1CCN(CC1)C(=O)OCC)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)C(C)(C)O

InChI

InChI=1S/C28H37N5O7/c1-5-39-23(34)13-12-20(26(36)32-14-16-33(17-15-32)27(37)40-6-2)30-25(35)21-18-22(28(3,4)38)31-24(29-21)19-10-8-7-9-11-19/h7-11,18,20,38H,5-6,12-17H2,1-4H3,(H,30,35)/t20-/m0/s1