2-azaniumyl-5-[[1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-(2-oxidanylpropanoylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 2-azaniumyl-5-[[1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-(2-oxidanylpropanoylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 2-azaniumyl-5-[[1-(2-hydroxypropanoylsulfanylmethyl)-2-[(2-oxido-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 2-ammonio-5-[[3-[(2-hydroxy-1-oxopropyl)thio]-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate IUPAC Name: 2-azaniumyl-5-[[3-(2-hydroxypropanoylsulfanyl)-1-[(2-oxido-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-ammonio-5-keto-5-[[2-keto-2-[(2-keto-2-oxido-ethyl)amino]-1-[(lactoylthio)methyl]ethyl]amino]valerate Formula: C13H20N3O8S- MolecularWeight: 378.3782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+])O

Isomeric SMILES

CC(C(=O)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+])O

InChI

InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/p-1