2-azanyl-6-[[1-(3-methylsulfinyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-3-sulfanyl-azetidin-3-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-6-[[1-(3-methylsulfinyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-3-sulfanyl-azetidin-3-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 2-amino-6-[[1-[2-hydroxy-1-(methylsulfinylmethyl)-2-oxo-ethyl]-2-oxo-3-sulfanyl-azetidin-3-yl]amino]-6-oxo-hexanoic acid CAS Name: 2-amino-6-[[1-(1-hydroxy-3-methylsulfinyl-1-oxopropan-2-yl)-3-mercapto-2-oxo-3-azetidinyl]amino]-6-oxohexanoic acid IUPAC Name: 2-amino-6-[[1-(1-hydroxy-3-methylsulfinyl-1-oxopropan-2-yl)-2-oxo-3-sulfanylazetidin-3-yl]amino]-6-oxohexanoic acid Traditional Name: 2-amino-6-[[1-[2-hydroxy-2-keto-1-(methylsulfinylmethyl)ethyl]-2-keto-3-mercapto-azetidin-3-yl]amino]-6-keto-hexanoic acid Formula: C13H21N3O7S2 MolecularWeight: 395.45174

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC(C(=O)O)N1CC(C1=O)(NC(=O)CCCC(C(=O)O)N)S

Isomeric SMILES

CS(=O)CC(C(=O)O)N1CC(C1=O)(NC(=O)CCCC(C(=O)O)N)S

InChI

InChI=1S/C13H21N3O7S2/c1-25(23)5-8(11(20)21)16-6-13(24,12(16)22)15-9(17)4-2-3-7(14)10(18)19/h7-8,24H,2-6,14H2,1H3,(H,15,17)(H,18,19)(H,20,21)