(2R)-1-[(2S)-2-[cyclohexyl(methyl)azaniumyl]-3-methyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-2-[cyclohexyl(methyl)azaniumyl]-3-methyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-2-[cyclohexyl(methyl)ammonio]-3-methyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-2-[cyclohexyl(methyl)ammonio]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-2-[cyclohexyl(methyl)azaniumyl]-3-methylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-[cyclohexyl(methyl)ammonio]-3-methyl-butanoyl]pyrrolidine-2-carboxylate Formula: C17H30N2O3 MolecularWeight: 310.4317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)[O-])[NH+](C)C2CCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])[NH+](C)C2CCCCC2

InChI

InChI=1S/C17H30N2O3/c1-12(2)15(18(3)13-8-5-4-6-9-13)16(20)19-11-7-10-14(19)17(21)22/h12-15H,4-11H2,1-3H3,(H,21,22)/t14-,15+/m1/s1