2-acetamido-4-methyl-N-[4-methyl-1-[[(E)-1-methylsulfanyl-4-oxidanylidene-6-(phenylsulfonyl)hex-5-en-3-yl]amino]-1-oxidanylidene-pentan-2-yl]pentanamide

Systemtic Name: 2-acetamido-4-methyl-N-[4-methyl-1-[[(E)-1-methylsulfanyl-4-oxidanylidene-6-(phenylsulfonyl)hex-5-en-3-yl]amino]-1-oxidanylidene-pentan-2-yl]pentanamide Openeye Name: 2-acetamido-N-[1-[[(E)-4-(benzenesulfonyl)-1-(2-methylsulfanylethyl)-2-oxo-but-3-enyl]carbamoyl]-3-methyl-butyl]-4-methyl-pentanamide CAS Name: 2-acetamido-N-[1-[[(E)-6-(benzenesulfonyl)-1-(methylthio)-4-oxohex-5-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide IUPAC Name: 2-acetamido-N-[1-[[(E)-6-(benzenesulfonyl)-1-methylsulfanyl-4-oxohex-5-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide Traditional Name: 2-acetamido-N-[1-[[(E)-4-besyl-2-keto-1-[2-(methylthio)ethyl]but-3-enyl]carbamoyl]-3-methyl-butyl]-4-methyl-valeramide Formula: C27H41N3O6S2 MolecularWeight: 567.76094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H41N3O6S2/c1-18(2)16-23(28-20(5)31)26(33)30-24(17-19(3)4)27(34)29-22(12-14-37-6)25(32)13-15-38(35,36)21-10-8-7-9-11-21/h7-11,13,15,18-19,22-24H,12,14,16-17H2,1-6H3,(H,28,31)(H,29,34)(H,30,33)/b15-13+