3-[[1-methyl-4-(4-methylpentyl)cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-methyl-4-(4-methylpentyl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: 3-[(4-isohexyl-1-methyl-cyclohexanecarbonyl)amino]propanoic acid CAS Name: 3-[[[1-methyl-4-(4-methylpentyl)cyclohexyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-methyl-4-(4-methylpentyl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: 3-[(4-isohexyl-1-methyl-cyclohexanecarbonyl)amino]propionic acid Formula: C17H31NO3 MolecularWeight: 297.43294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1CCC(CC1)(C)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)CCCC1CCC(CC1)(C)C(=O)NCCC(=O)O

InChI

InChI=1S/C17H31NO3/c1-13(2)5-4-6-14-7-10-17(3,11-8-14)16(21)18-12-9-15(19)20/h13-14H,4-12H2,1-3H3,(H,18,21)(H,19,20)