[(2S)-1-[4-(carboxymethylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-[4-(carboxymethylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]azanium chloride Openeye Name: [(1S)-1-[4-(carboxymethylcarbamoyl)piperidine-1-carbonyl]-2-methyl-propyl]ammonium chloride CAS Name: [(2S)-1-[4-[(carboxymethylamino)-oxomethyl]-1-piperidinyl]-3-methyl-1-oxobutan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-[4-(carboxymethylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]azanium chloride Traditional Name: [(1S)-1-[4-(carboxymethylcarbamoyl)piperidine-1-carbonyl]-2-methyl-propyl]ammonium chloride Formula: C13H24ClN3O4 MolecularWeight: 321.80036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)C(=O)NCC(=O)O)[NH3+].[Cl-]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)C(=O)NCC(=O)O)[NH3+].[Cl-]

InChI

InChI=1S/C13H23N3O4.ClH/c1-8(2)11(14)13(20)16-5-3-9(4-6-16)12(19)15-7-10(17)18;/h8-9,11H,3-7,14H2,1-2H3,(H,15,19)(H,17,18);1H/t11-;/m0./s1