2-[bis[2-[[2-(methylamino)-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate hydrate

Systemtic Name: 2-[bis[2-[[2-(methylamino)-2-oxidanylidene-ethyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate hydrate Openeye Name: 2-[bis[2-[[2-(methylamino)-2-oxo-ethyl]-(2-oxido-2-oxo-ethyl)amino]ethyl]amino]acetate hydrate CAS Name: 2-[bis[2-[[2-(methylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate hydrate IUPAC Name: 2-[bis[2-[[2-(methylamino)-2-oxoethyl]-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate hydrate Traditional Name: 2-[bis[2-[[2-keto-2-(methylamino)ethyl]-(2-keto-2-oxido-ethyl)amino]ethyl]amino]acetate hydrate Formula: C16H28N5O9-3 MolecularWeight: 434.42162

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O

Isomeric SMILES

CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O

InChI

InChI=1S/C16H29N5O8.H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);1H2/p-3