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

Systemtic Name: 2-acetamido-4-methyl-N-[4-methyl-1-oxidanylidene-1-[[(E)-1-(phenylsulfonyl)hept-1-en-3-yl]amino]pentan-2-yl]pentanamide Openeye Name: 2-acetamido-N-[1-[1-[(E)-2-(benzenesulfonyl)vinyl]pentylcarbamoyl]-3-methyl-butyl]-4-methyl-pentanamide CAS Name: 2-acetamido-N-[1-[[(E)-1-(benzenesulfonyl)hept-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: 2-acetamido-N-[1-[[(E)-1-(benzenesulfonyl)hept-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: 2-acetamido-N-[1-[[(E)-3-besyl-1-butyl-allyl]carbamoyl]-3-methyl-butyl]-4-methyl-valeramide Formula: C27H43N3O5S MolecularWeight: 521.71242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(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=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/C27H43N3O5S/c1-7-8-12-22(15-16-36(34,35)23-13-10-9-11-14-23)29-26(32)25(18-20(4)5)30-27(33)24(17-19(2)3)28-21(6)31/h9-11,13-16,19-20,22,24-25H,7-8,12,17-18H2,1-6H3,(H,28,31)(H,29,32)(H,30,33)/b16-15+