4-[[2-iodanyl-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid

Systemtic Name: 4-[[2-iodanyl-3-(4-methoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid Openeye Name: 4-[[1-iodo-1-[(4-methoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid CAS Name: 4-[[[2-iodo-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-3-mercapto-6-methylheptanoic acid IUPAC Name: 4-[[2-iodo-3-(4-methoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-6-methyl-3-sulfanylheptanoic acid Traditional Name: 4-[[1-iodo-2-keto-2-(methylamino)-1-p-anisyl-ethyl]carbamoyl]-3-mercapto-6-methyl-enanthic acid Formula: C20H29IN2O5S MolecularWeight: 536.42413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)O)S)C(=O)NC(CC1=CC=C(C=C1)OC)(C(=O)NC)I

Isomeric SMILES

CC(C)CC(C(CC(=O)O)S)C(=O)NC(CC1=CC=C(C=C1)OC)(C(=O)NC)I

InChI

InChI=1S/C20H29IN2O5S/c1-12(2)9-15(16(29)10-17(24)25)18(26)23-20(21,19(27)22-3)11-13-5-7-14(28-4)8-6-13/h5-8,12,15-16,29H,9-11H2,1-4H3,(H,22,27)(H,23,26)(H,24,25)