(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(2-phenyl-6-pyridin-3-yl-pyrimidin-4-yl)carbonylamino]pentanoic acid

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(2-phenyl-6-pyridin-3-yl-pyrimidin-4-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[2-phenyl-6-(3-pyridyl)pyrimidine-4-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-[2-phenyl-6-(3-pyridinyl)-4-pyrimidinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(2-phenyl-6-pyridin-3-ylpyrimidine-4-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[[2-phenyl-6-(3-pyridyl)pyrimidine-4-carbonyl]amino]valeric acid Formula: C28H30N6O6 MolecularWeight: 546.5744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O6/c1-2-40-28(39)34-15-13-33(14-16-34)27(38)21(10-11-24(35)36)32-26(37)23-17-22(20-9-6-12-29-18-20)30-25(31-23)19-7-4-3-5-8-19/h3-9,12,17-18,21H,2,10-11,13-16H2,1H3,(H,32,37)(H,35,36)/t21-/m0/s1