2-acetamido-4-methyl-N-[4-methyl-1-oxidanylidene-1-[[(E)-3-oxidanylidene-1-(phenylsulfonyl)oct-1-en-4-yl]amino]pentan-2-yl]pentanamide

Systemtic Name: 2-acetamido-4-methyl-N-[4-methyl-1-oxidanylidene-1-[[(E)-3-oxidanylidene-1-(phenylsulfonyl)oct-1-en-4-yl]amino]pentan-2-yl]pentanamide Openeye Name: 2-acetamido-N-[1-[1-[(E)-3-(benzenesulfonyl)prop-2-enoyl]pentylcarbamoyl]-3-methyl-butyl]-4-methyl-pentanamide CAS Name: 2-acetamido-N-[1-[[(E)-1-(benzenesulfonyl)-3-oxooct-1-en-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: 2-acetamido-N-[1-[[(E)-1-(benzenesulfonyl)-3-oxooct-1-en-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: 2-acetamido-N-[1-[[(E)-4-besyl-1-butyl-2-keto-but-3-enyl]carbamoyl]-3-methyl-butyl]-4-methyl-valeramide Formula: C28H43N3O6S MolecularWeight: 549.72252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C=CS(=O)(=O)C1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C

Isomeric SMILES

CCCCC(C(=O)/C=C/S(=O)(=O)C1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C

InChI

InChI=1S/C28H43N3O6S/c1-7-8-14-23(26(33)15-16-38(36,37)22-12-10-9-11-13-22)30-28(35)25(18-20(4)5)31-27(34)24(17-19(2)3)29-21(6)32/h9-13,15-16,19-20,23-25H,7-8,14,17-18H2,1-6H3,(H,29,32)(H,30,35)(H,31,34)/b16-15+