tert-butyl 4-methyl-2-[[2-(propan-2-ylsulfonylmethyl)-3-quinolin-8-yl-propanoyl]amino]pentanoate

Systemtic Name: tert-butyl 4-methyl-2-[[2-(propan-2-ylsulfonylmethyl)-3-quinolin-8-yl-propanoyl]amino]pentanoate Openeye Name: tert-butyl 2-[[2-(isopropylsulfonylmethyl)-3-(8-quinolyl)propanoyl]amino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-(propan-2-ylsulfonylmethyl)-3-(8-quinolinyl)propyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-2-[[2-(propan-2-ylsulfonylmethyl)-3-quinolin-8-ylpropanoyl]amino]pentanoate Traditional Name: 2-[[2-(isopropylsulfonylmethyl)-3-(8-quinolyl)propanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C26H38N2O5S MolecularWeight: 490.65532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=C1N=CC=C2)CS(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=C1N=CC=C2)CS(=O)(=O)C(C)C

InChI

InChI=1S/C26H38N2O5S/c1-17(2)14-22(25(30)33-26(5,6)7)28-24(29)21(16-34(31,32)18(3)4)15-20-11-8-10-19-12-9-13-27-23(19)20/h8-13,17-18,21-22H,14-16H2,1-7H3,(H,28,29)