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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-4-[(2-phenyl-6-propylsulfanyl-pyrimidin-4-yl)carbonylamino]pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(2-phenyl-6-propylsulfanyl-pyrimidine-4-carbonyl)amino]pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxo-4-[[oxo-[2-phenyl-6-(propylthio)-4-pyrimidinyl]methyl]amino]pentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(2-phenyl-6-propylsulfanylpyrimidine-4-carbonyl)amino]pentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-5-keto-4-[[2-phenyl-6-(propylthio)pyrimidine-4-carbonyl]amino]valeric acid Formula: C26H33N5O6S MolecularWeight: 543.63512

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC(=C1)C(=O)NC(CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCSC1=NC(=NC(=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(CC2)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C26H33N5O6S/c1-3-16-38-21-17-20(27-23(29-21)18-8-6-5-7-9-18)24(34)28-19(10-11-22(32)33)25(35)30-12-14-31(15-13-30)26(36)37-4-2/h5-9,17,19H,3-4,10-16H2,1-2H3,(H,28,34)(H,32,33)/t19-/m0/s1