3-[[1-[2-(2-methoxyethoxy)ethylamino]-3,3-dimethyl-1-sulfanylidene-butan-2-yl]carbamoyl]-5-methyl-2-prop-2-enyl-hexanoic acid

Systemtic Name: 3-[[1-[2-(2-methoxyethoxy)ethylamino]-3,3-dimethyl-1-sulfanylidene-butan-2-yl]carbamoyl]-5-methyl-2-prop-2-enyl-hexanoic acid Openeye Name: 2-allyl-3-[[1-[2-(2-methoxyethoxy)ethylcarbamothioyl]-2,2-dimethyl-propyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: 3-[[[1-[2-(2-methoxyethoxy)ethylamino]-3,3-dimethyl-1-sulfanylidenebutan-2-yl]amino]-oxomethyl]-5-methyl-2-prop-2-enylhexanoic acid IUPAC Name: 3-[[1-[2-(2-methoxyethoxy)ethylamino]-3,3-dimethyl-1-sulfanylidenebutan-2-yl]carbamoyl]-5-methyl-2-prop-2-enylhexanoic acid Traditional Name: 2-[1-[[1-[2-(2-methoxyethoxy)ethylthiocarbamoyl]-2,2-dimethyl-propyl]carbamoyl]-3-methyl-butyl]pent-4-enoic acid Formula: C22H40N2O5S MolecularWeight: 444.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)O)C(=O)NC(C(=S)NCCOCCOC)C(C)(C)C

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)O)C(=O)NC(C(=S)NCCOCCOC)C(C)(C)C

InChI

InChI=1S/C22H40N2O5S/c1-8-9-16(21(26)27)17(14-15(2)3)19(25)24-18(22(4,5)6)20(30)23-10-11-29-13-12-28-7/h8,15-18H,1,9-14H2,2-7H3,(H,23,30)(H,24,25)(H,26,27)