(2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(6-oxidanylidenepiperidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(6-oxidanylidenepiperidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(6-oxopiperidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[oxo-(6-oxo-2-piperidinyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(6-oxopiperidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(6-ketopipecoloyl)pyrrolidin-1-ium-2-carboxamide Formula: C17H25N6O4+ MolecularWeight: 377.4182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC(=O)C1)C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CN=CN3)N

Isomeric SMILES

C1C[C@H]([N+](C1)(C(=O)C2CCCC(=O)N2)C(=O)[C@H](CC3=CN=CN3)N)C(=O)N

InChI

InChI=1S/C17H24N6O4/c18-11(7-10-8-20-9-21-10)16(26)23(6-2-4-13(23)15(19)25)17(27)12-3-1-5-14(24)22-12/h8-9,11-13H,1-7,18H2,(H3-,19,20,21,22,24,25)/p+1/t11-,12?,13-,23?/m0/s1