1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(3-methylsulfanyl-4-oxidanylidene-azetidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(3-methylsulfanyl-4-oxidanylidene-azetidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3-methylsulfanyl-4-oxo-azetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[[3-(methylthio)-4-oxo-2-azetidinyl]-oxomethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(3-methylsulfanyl-4-oxoazetidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-[4-keto-3-(methylthio)azetidine-2-carbonyl]pyrrolidin-1-ium-2-carboxamide Formula: C16H23N6O4S+ MolecularWeight: 395.45662

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(NC1=O)C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CN=CN3)N

Isomeric SMILES

CSC1C(NC1=O)C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CN=CN3)N

InChI

InChI=1S/C16H22N6O4S/c1-27-12-11(21-14(12)24)16(26)22(4-2-3-10(22)13(18)23)15(25)9(17)5-8-6-19-7-20-8/h6-7,9-12H,2-5,17H2,1H3,(H3-,18,19,20,21,23,24)/p+1