dicalcium; disodium; (2R)-2-azanyl-3-sulfanyl-propanoic acid; 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate

Systemtic Name: dicalcium; disodium; (2R)-2-azanyl-3-sulfanyl-propanoic acid; 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate Openeye Name: dicalcium; disodium; (2R)-2-amino-3-sulfanyl-propanoic acid; 2-[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl-(2-oxido-2-oxo-ethyl)amino]acetate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate CAS Name: dicalcium; disodium; (2R)-2-amino-3-mercaptopropanoic acid; 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate IUPAC Name: dicalcium; disodium; (2R)-2-amino-3-sulfanylpropanoic acid; 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate Traditional Name: dicalcium; disodium; (2R)-2-amino-3-mercapto-propionic acid; 2-[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl-(2-keto-2-oxido-ethyl)amino]acetate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate Formula: C25H41Ca2N3Na2O24S MolecularWeight: 925.79928

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Descriptors Computed from Structure

Canonical SMILES:

C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(=O)O)N)S.[Na+].[Na+].[Ca+2].[Ca+2]

Isomeric SMILES

C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@@H](C(=O)O)N)S.[Na+].[Na+].[Ca+2].[Ca+2]

InChI

InChI=1S/C10H16N2O8.2C6H12O7.C3H7NO2S.2Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2*7-1-2(8)3(9)4(10)5(11)6(12)13;4-2(1-7)3(5)6;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*2-5,7-11H,1H2,(H,12,13);2,7H,1,4H2,(H,5,6);;;;/q;;;;2*+2;2*+1/p-6/t;2*2-,3-,4+,5-;2-;;;;/m.110..../s1