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

Systemtic Name: (2S)-2-[4-(4-aminocarbonylpiperidin-1-ium-1-yl)butanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[4-(4-carbamoylpiperidin-1-ium-1-yl)butanoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxobutyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[4-(4-carbamoylpiperidin-1-ium-1-yl)butanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[4-(4-carbamoylpiperidin-1-ium-1-yl)butanoylamino]-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)CCC[NH+]1CCC(CC1)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O4/c1-10(2)13(15(21)22)17-12(19)4-3-7-18-8-5-11(6-9-18)14(16)20/h10-11,13H,3-9H2,1-2H3,(H2,16,20)(H,17,19)(H,21,22)/t13-/m0/s1