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

Systemtic Name: 3-[[3-methyl-1-(methylamino)-1-oxidanylidene-3-(phenylmethylsulfanyl)butan-2-yl]carbamoyl]nonadecanoic acid Openeye Name: 3-[[2-benzylsulfanyl-2-methyl-1-(methylcarbamoyl)propyl]carbamoyl]nonadecanoic acid CAS Name: 3-[[[3-methyl-1-(methylamino)-1-oxo-3-(phenylmethylthio)butan-2-yl]amino]-oxomethyl]nonadecanoic acid IUPAC Name: 3-[[3-benzylsulfanyl-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]nonadecanoic acid Traditional Name: 3-[[2-(benzylthio)-2-methyl-1-(methylcarbamoyl)propyl]carbamoyl]nonadecanoic acid Formula: C33H56N2O4S MolecularWeight: 576.87374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H56N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(25-29(36)37)31(38)35-30(32(39)34-4)33(2,3)40-26-27-22-19-18-20-23-27/h18-20,22-23,28,30H,5-17,21,24-26H2,1-4H3,(H,34,39)(H,35,38)(H,36,37)