(2S)-N'-(2,2-dimethylpropyl)-N-[2-methyl-1-[[(E,3S)-5-methyl-1-methylsulfonyl-hex-1-en-3-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[(4-methylphenyl)sulfonylamino]butanediamide

Systemtic Name: (2S)-N'-(2,2-dimethylpropyl)-N-[2-methyl-1-[[(E,3S)-5-methyl-1-methylsulfonyl-hex-1-en-3-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[(4-methylphenyl)sulfonylamino]butanediamide Openeye Name: (2S)-N-[1,1-dimethyl-2-[[(1S)-3-methyl-1-[(E)-2-methylsulfonylvinyl]butyl]amino]-2-oxo-ethyl]-N'-(2,2-dimethylpropyl)-2-(p-tolylsulfonylamino)butanediamide CAS Name: (2S)-N'-(2,2-dimethylpropyl)-N-[2-methyl-1-[[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxopropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]butanediamide IUPAC Name: (2S)-N'-(2,2-dimethylpropyl)-N-[2-methyl-1-[[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxopropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]butanediamide Traditional Name: (2S)-N-[2-[[(E,1S)-1-isobutyl-3-mesyl-allyl]amino]-2-keto-1,1-dimethyl-ethyl]-N'-neopentyl-2-(tosylamino)succinamide Formula: C28H46N4O7S2 MolecularWeight: 614.81744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC(C)(C)C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C=CS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C

InChI

InChI=1S/C28H46N4O7S2/c1-19(2)16-21(14-15-40(9,36)37)30-26(35)28(7,8)31-25(34)23(17-24(33)29-18-27(4,5)6)32-41(38,39)22-12-10-20(3)11-13-22/h10-15,19,21,23,32H,16-18H2,1-9H3,(H,29,33)(H,30,35)(H,31,34)/b15-14+/t21-,23+/m1/s1