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

Systemtic Name: (2S)-2-[3-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[3-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-4-methyl-valerate Formula: C15H27N3O4 MolecularWeight: 313.39258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O4/c1-10(2)9-12(15(21)22)17-13(19)5-8-18-6-3-11(4-7-18)14(16)20/h10-12H,3-9H2,1-2H3,(H2,16,20)(H,17,19)(H,21,22)/t12-/m0/s1