(2S)-1-[(2S)-2-azanylpentanoyl]-1-(6-oxidanylidenepiperidin-2-yl)carbonyl-piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanylpentanoyl]-1-(6-oxidanylidenepiperidin-2-yl)carbonyl-piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-aminopentanoyl]-1-(6-oxopiperidine-2-carbonyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-1-oxopentyl]-1-[oxo-(6-oxo-2-piperidinyl)methyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2S)-2-aminopentanoyl]-1-(6-oxopiperidine-2-carbonyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-aminopentanoyl]-1-(6-ketopipecoloyl)piperidin-1-ium-2-carboxamide Formula: C17H29N4O4+ MolecularWeight: 353.43656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[N+]1(CCCCC1C(=O)N)C(=O)C2CCCC(=O)N2)N

Isomeric SMILES

CCC[C@@H](C(=O)[N+]1(CCCC[C@H]1C(=O)N)C(=O)C2CCCC(=O)N2)N

InChI

InChI=1S/C17H28N4O4/c1-2-6-11(18)16(24)21(10-4-3-8-13(21)15(19)23)17(25)12-7-5-9-14(22)20-12/h11-13H,2-10,18H2,1H3,(H2-,19,20,22,23)/p+1/t11-,12?,13-,21?/m0/s1