(2S)-2-[[1-methyl-4-(4-methylpentyl)cyclohexyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[1-methyl-4-(4-methylpentyl)cyclohexyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[(4-isohexyl-1-methyl-cyclohexanecarbonyl)amino]propanoic acid CAS Name: (2S)-2-[[[1-methyl-4-(4-methylpentyl)cyclohexyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[1-methyl-4-(4-methylpentyl)cyclohexanecarbonyl]amino]propanoic acid Traditional Name: (2S)-2-[(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)NC(C)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1(CCC(CC1)CCCC(C)C)C

InChI

InChI=1S/C17H31NO3/c1-12(2)6-5-7-14-8-10-17(4,11-9-14)16(21)18-13(3)15(19)20/h12-14H,5-11H2,1-4H3,(H,18,21)(H,19,20)/t13-,14?,17?/m0/s1