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

Systemtic Name: 2-azaniumyl-5-[[1-[(2-oxidanidyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-sulfonatosulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: 2-azaniumyl-5-[[2-[(2-oxido-2-oxo-ethyl)amino]-2-oxo-1-(sulfonatosulfanylmethyl)ethyl]amino]-5-oxo-pentanoate CAS Name: 2-ammonio-5-[[1-[(2-oxido-2-oxoethyl)amino]-1-oxo-3-(sulfonatothio)propan-2-yl]amino]-5-oxopentanoate IUPAC Name: 2-azaniumyl-5-[[1-[(2-oxido-2-oxoethyl)amino]-1-oxo-3-sulfonatosulfanylpropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-ammonio-5-keto-5-[[2-keto-2-[(2-keto-2-oxido-ethyl)amino]-1-[(sulfonatothio)methyl]ethyl]amino]valerate Formula: C10H15N3O9S2-2 MolecularWeight: 385.3708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N3O9S2/c11-5(10(18)19)1-2-7(14)13-6(4-23-24(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/p-2