(2S)-2-[[2-(4-aminocarbonylpiperidin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[[2-(4-aminocarbonylpiperidin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoate Openeye Name: (2S)-2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(4-carbamoyl-1-piperidin-1-iumyl)-2-methyl-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)-2-methylpropanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(4-carbamoylpiperidin-1-ium-1-yl)-2-methyl-propanoyl]amino]-3-methyl-butyrate Formula: C15H27N3O4 MolecularWeight: 313.39258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(C)(C)[NH+]1CCC(CC1)C(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C(C)(C)[NH+]1CCC(CC1)C(=O)N

InChI

InChI=1S/C15H27N3O4/c1-9(2)11(13(20)21)17-14(22)15(3,4)18-7-5-10(6-8-18)12(16)19/h9-11H,5-8H2,1-4H3,(H2,16,19)(H,17,22)(H,20,21)/t11-/m0/s1