2-[2-(3-iodanyl-5-nitro-4-oxidanyl-phenyl)ethanoylamino]-4-methyl-N-[4-methyl-1-[(5-methyl-1-methylsulfonyl-hexan-3-yl)amino]-1-oxidanylidene-pentan-2-yl]pentanamide

Systemtic Name: 2-[2-(3-iodanyl-5-nitro-4-oxidanyl-phenyl)ethanoylamino]-4-methyl-N-[4-methyl-1-[(5-methyl-1-methylsulfonyl-hexan-3-yl)amino]-1-oxidanylidene-pentan-2-yl]pentanamide Openeye Name: 2-[[2-(4-hydroxy-3-iodo-5-nitro-phenyl)acetyl]amino]-4-methyl-N-[3-methyl-1-[[3-methyl-1-(2-methylsulfonylethyl)butyl]carbamoyl]butyl]pentanamide CAS Name: 2-[[2-(4-hydroxy-3-iodo-5-nitrophenyl)-1-oxoethyl]amino]-4-methyl-N-[4-methyl-1-[(5-methyl-1-methylsulfonylhexan-3-yl)amino]-1-oxopentan-2-yl]pentanamide IUPAC Name: 2-[[2-(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]amino]-4-methyl-N-[4-methyl-1-[(5-methyl-1-methylsulfonylhexan-3-yl)amino]-1-oxopentan-2-yl]pentanamide Traditional Name: 2-[[2-(4-hydroxy-3-iodo-5-nitro-phenyl)acetyl]amino]-N-[1-[[1-(2-mesylethyl)-3-methyl-butyl]carbamoyl]-3-methyl-butyl]-4-methyl-valeramide Formula: C28H45IN4O8S MolecularWeight: 724.64837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCS(=O)(=O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(CCS(=O)(=O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-]

InChI

InChI=1S/C28H45IN4O8S/c1-16(2)10-20(8-9-42(7,40)41)30-27(36)23(12-18(5)6)32-28(37)22(11-17(3)4)31-25(34)15-19-13-21(29)26(35)24(14-19)33(38)39/h13-14,16-18,20,22-23,35H,8-12,15H2,1-7H3,(H,30,36)(H,31,34)(H,32,37)