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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(2-phenyl-6-thiophen-2-yl-pyrimidin-4-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[2-phenyl-6-(2-thienyl)pyrimidine-4-carbonyl]amino]pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-(2-phenyl-6-thiophen-2-yl-4-pyrimidinyl)methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(2-phenyl-6-thiophen-2-ylpyrimidine-4-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[[2-phenyl-6-(2-thienyl)pyrimidine-4-carbonyl]amino]valeric acid Formula: C27H29N5O6S MolecularWeight: 551.61406

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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=CC=CS3)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=CS3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N5O6S/c1-2-38-27(37)32-14-12-31(13-15-32)26(36)19(10-11-23(33)34)30-25(35)21-17-20(22-9-6-16-39-22)28-24(29-21)18-7-4-3-5-8-18/h3-9,16-17,19H,2,10-15H2,1H3,(H,30,35)(H,33,34)/t19-/m0/s1