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

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

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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)SC(C)C

Isomeric SMILES

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

InChI

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