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

Systemtic Name: (2S)-2-[3-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-3-methyl-butyrate Formula: C14H25N3O4 MolecularWeight: 299.366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N3O4/c1-9(2)12(14(20)21)16-11(18)5-8-17-6-3-10(4-7-17)13(15)19/h9-10,12H,3-8H2,1-2H3,(H2,15,19)(H,16,18)(H,20,21)/t12-/m0/s1