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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(2-phenyl-6-piperidin-4-yloxy-pyrimidin-4-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[2-phenyl-6-(4-piperidyloxy)pyrimidine-4-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-[2-phenyl-6-(4-piperidinyloxy)-4-pyrimidinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(2-phenyl-6-piperidin-4-yloxypyrimidine-4-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[[2-phenyl-6-(4-piperidyloxy)pyrimidine-4-carbonyl]amino]valeric acid Formula: C28H36N6O7 MolecularWeight: 568.62144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4CCNCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)OC4CCNCC4

InChI

InChI=1S/C28H36N6O7/c1-2-40-28(39)34-16-14-33(15-17-34)27(38)21(8-9-24(35)36)31-26(37)22-18-23(41-20-10-12-29-13-11-20)32-25(30-22)19-6-4-3-5-7-19/h3-7,18,20-21,29H,2,8-17H2,1H3,(H,31,37)(H,35,36)/t21-/m0/s1