(4S)-4-[[6-(4-ethanoylphenyl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[6-(4-ethanoylphenyl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[6-(4-acetylphenyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[6-(4-acetylphenyl)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (4S)-4-[[6-(4-acetylphenyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (4S)-4-[[6-(4-acetylphenyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-(4-carbethoxypiperazino)-5-keto-valeric acid Formula: C31H33N5O7 MolecularWeight: 587.62302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC(=NC(=C2)C3=CC=C(C=C3)C(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=NC(=NC(=C2)C3=CC=C(C=C3)C(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C31H33N5O7/c1-3-43-31(42)36-17-15-35(16-18-36)30(41)24(13-14-27(38)39)34-29(40)26-19-25(22-11-9-21(10-12-22)20(2)37)32-28(33-26)23-7-5-4-6-8-23/h4-12,19,24H,3,13-18H2,1-2H3,(H,34,40)(H,38,39)/t24-/m0/s1