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

Systemtic Name: (2S)-2-[[1-methyl-4-(4-methylpentyl)cyclohexyl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[(4-isohexyl-1-methyl-cyclohexanecarbonyl)amino]butanedioic acid CAS Name: (2S)-2-[[[1-methyl-4-(4-methylpentyl)cyclohexyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[1-methyl-4-(4-methylpentyl)cyclohexanecarbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[(4-isohexyl-1-methyl-cyclohexanecarbonyl)amino]succinic acid Formula: C18H31NO5 MolecularWeight: 341.44244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CCCC1CCC(CC1)(C)C(=O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C18H31NO5/c1-12(2)5-4-6-13-7-9-18(3,10-8-13)17(24)19-14(16(22)23)11-15(20)21/h12-14H,4-11H2,1-3H3,(H,19,24)(H,20,21)(H,22,23)/t13?,14-,18?/m0/s1