2-acetamido-4-methyl-N-[4-methyl-1-[[(E)-5-methylsulfonyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino]-1-oxidanylidene-pentan-2-yl]pentanamide

Systemtic Name: 2-acetamido-4-methyl-N-[4-methyl-1-[[(E)-5-methylsulfonyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino]-1-oxidanylidene-pentan-2-yl]pentanamide Openeye Name: 2-acetamido-N-[1-[[(E)-3-(benzenesulfonyl)-1-(2-methylsulfonylethyl)allyl]carbamoyl]-3-methyl-butyl]-4-methyl-pentanamide CAS Name: 2-acetamido-N-[1-[[(E)-1-(benzenesulfonyl)-5-methylsulfonylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: 2-acetamido-N-[1-[[(E)-1-(benzenesulfonyl)-5-methylsulfonylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: 2-acetamido-N-[1-[[(E)-3-besyl-1-(2-mesylethyl)allyl]carbamoyl]-3-methyl-butyl]-4-methyl-valeramide Formula: C26H41N3O7S2 MolecularWeight: 571.74964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H41N3O7S2/c1-18(2)16-23(27-20(5)30)26(32)29-24(17-19(3)4)25(31)28-21(12-14-37(6,33)34)13-15-38(35,36)22-10-8-7-9-11-22/h7-11,13,15,18-19,21,23-24H,12,14,16-17H2,1-6H3,(H,27,30)(H,28,31)(H,29,32)/b15-13+