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

Systemtic Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(ethylsulfonylmethyl)-2-phenyl-pyrimidin-4-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(ethylsulfonylmethyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-(4-ethoxycarbonyl-1-piperazinyl)-4-[[[6-(ethylsulfonylmethyl)-2-phenyl-4-pyrimidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(ethylsulfonylmethyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-(4-carbethoxypiperazino)-4-[[6-(esylmethyl)-2-phenyl-pyrimidine-4-carbonyl]amino]-5-keto-valeric acid Formula: C26H33N5O8S MolecularWeight: 575.63392

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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)CS(=O)(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O8S/c1-3-39-26(36)31-14-12-30(13-15-31)25(35)20(10-11-22(32)33)29-24(34)21-16-19(17-40(37,38)4-2)27-23(28-21)18-8-6-5-7-9-18/h5-9,16,20H,3-4,10-15,17H2,1-2H3,(H,29,34)(H,32,33)/t20-/m0/s1