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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3O4/c1-3-10(2)13(15(21)22)17-12(19)6-9-18-7-4-11(5-8-18)14(16)20/h10-11,13H,3-9H2,1-2H3,(H2,16,20)(H,17,19)(H,21,22)/t10-,13-/m0/s1