2-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-2-(1-methylpiperidin-4-yl)hexanoic acid

Systemtic Name: 2-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-2-(1-methylpiperidin-4-yl)hexanoic acid Openeye Name: 2-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-2-(1-methyl-4-piperidyl)hexanoic acid CAS Name: 2-[[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-5-methyl-2-(1-methyl-4-piperidinyl)hexanoic acid IUPAC Name: 2-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methyl-2-(1-methylpiperidin-4-yl)hexanoic acid Traditional Name: 2-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-2-(1-methyl-4-piperidyl)hexanoic acid Formula: C21H39N3O4 MolecularWeight: 397.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1CCN(CC1)C)(C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)CCC(C1CCN(CC1)C)(C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)O

InChI

InChI=1S/C21H39N3O4/c1-14(2)8-11-21(19(27)28,15-9-12-24(7)13-10-15)18(26)23-16(17(25)22-6)20(3,4)5/h14-16H,8-13H2,1-7H3,(H,22,25)(H,23,26)(H,27,28)