tert-butyl (2S)-2-(phenylsulfonylamino)-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate

Systemtic Name: tert-butyl (2S)-2-(phenylsulfonylamino)-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]carbonylamino]propanoate Openeye Name: tert-butyl (2S)-2-(benzenesulfonamido)-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-[[oxo-[3-[4-(2-pyrimidinyl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(benzenesulfonamido)-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)benzoyl]amino]propanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-[[3-[4-(2-pyrimidyl)piperazino]benzoyl]amino]propionic acid tert-butyl ester Formula: C28H34N6O5S MolecularWeight: 566.67176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNC(=O)C1=CC(=CC=C1)N2CCN(CC2)C3=NC=CC=N3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CNC(=O)C1=CC(=CC=C1)N2CCN(CC2)C3=NC=CC=N3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H34N6O5S/c1-28(2,3)39-26(36)24(32-40(37,38)23-11-5-4-6-12-23)20-31-25(35)21-9-7-10-22(19-21)33-15-17-34(18-16-33)27-29-13-8-14-30-27/h4-14,19,24,32H,15-18,20H2,1-3H3,(H,31,35)/t24-/m0/s1