3-[[2,3-dimethyl-1-(methylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)butan-2-yl]carbamoyl]nonadecanoic acid

Systemtic Name: 3-[[2,3-dimethyl-1-(methylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)butan-2-yl]carbamoyl]nonadecanoic acid Openeye Name: 3-[[2-benzylsulfanyl-1,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]nonadecanoic acid CAS Name: 3-[[[2,3-dimethyl-1-(methylamino)-1-oxo-3-(phenylmethylthio)butan-2-yl]amino]-oxomethyl]nonadecanoic acid IUPAC Name: 3-[[3-benzylsulfanyl-2,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]nonadecanoic acid Traditional Name: 3-[[2-(benzylthio)-1,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]nonadecanoic acid Formula: C34H58N2O4S MolecularWeight: 590.90032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC(C)(C(=O)NC)C(C)(C)SCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(=O)O)C(=O)NC(C)(C(=O)NC)C(C)(C)SCC1=CC=CC=C1

InChI

InChI=1S/C34H58N2O4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(26-30(37)38)31(39)36-34(4,32(40)35-5)33(2,3)41-27-28-23-20-19-21-24-28/h19-21,23-24,29H,6-18,22,25-27H2,1-5H3,(H,35,40)(H,36,39)(H,37,38)