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

Systemtic Name: tert-butyl (E)-2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[[isobutyl(methylsulfonyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(4-methyl-1-oxopentyl)-[2-methylpropyl(methylsulfonyl)amino]amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[[isobutyl(mesyl)amino]-(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C26H42N2O5S MolecularWeight: 494.68708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N2O5S/c1-20(2)17-18-24(29)28(27(19-21(3)4)34(8,31)32)23(25(30)33-26(5,6)7)16-12-15-22-13-10-9-11-14-22/h9-15,20-21,23H,16-19H2,1-8H3/b15-12+