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

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl-[(4-methylphenyl)sulfonylamino]amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[4-methylpentanoyl-(p-tolylsulfonylamino)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(4-methyl-1-oxopentyl)-[(4-methylphenyl)sulfonylamino]amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[4-methylpentanoyl-[(4-methylphenyl)sulfonylamino]amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[4-methylpentanoyl-(tosylamino)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C28H38N2O5S MolecularWeight: 514.67672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN(C(CC=CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN(C(C/C=C/C2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)CCC(C)C

InChI

InChI=1S/C28H38N2O5S/c1-21(2)15-20-26(31)30(29-36(33,34)24-18-16-22(3)17-19-24)25(27(32)35-28(4,5)6)14-10-13-23-11-8-7-9-12-23/h7-13,16-19,21,25,29H,14-15,20H2,1-6H3/b13-10+