tert-butyl 2-[[2-(phenylmethyl)-3-pyrimidin-2-ylsulfonyl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(phenylmethyl)-3-pyrimidin-2-ylsulfonyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[(2-benzyl-3-pyrimidin-2-ylsulfonyl-propanoyl)amino]hexanoate CAS Name: 2-[[1-oxo-2-(phenylmethyl)-3-(2-pyrimidinylsulfonyl)propyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-benzyl-3-pyrimidin-2-ylsulfonylpropanoyl)amino]hexanoate Traditional Name: 2-[[2-benzyl-3-(2-pyrimidylsulfonyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)C2=NC=CC=N2

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)C2=NC=CC=N2

InChI

InChI=1S/C24H33N3O5S/c1-5-6-13-20(22(29)32-24(2,3)4)27-21(28)19(16-18-11-8-7-9-12-18)17-33(30,31)23-25-14-10-15-26-23/h7-12,14-15,19-20H,5-6,13,16-17H2,1-4H3,(H,27,28)