tert-butyl (E)-2-[[2-methylbutyl-(4-methylphenyl)sulfonyl-amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[[2-methylbutyl-(4-methylphenyl)sulfonyl-amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[[2-methylbutyl(p-tolylsulfonyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[[2-methylbutyl-(4-methylphenyl)sulfonylamino]-(4-methyl-1-oxopentyl)amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[[2-methylbutyl-(4-methylphenyl)sulfonylamino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[[2-methylbutyl(tosyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C33H48N2O5S MolecularWeight: 584.80962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(N(C(CC=CC1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)CCC(C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)CN(N(C(C/C=C/C1=CC=CC=C1)C(=O)OC(C)(C)C)C(=O)CCC(C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C33H48N2O5S/c1-9-26(4)24-34(41(38,39)29-21-19-27(5)20-22-29)35(31(36)23-18-25(2)3)30(32(37)40-33(6,7)8)17-13-16-28-14-11-10-12-15-28/h10-16,19-22,25-26,30H,9,17-18,23-24H2,1-8H3/b16-13+