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

Systemtic Name: pentacalcium 2-[bis[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate Openeye Name: pentacalcium 2-[bis[2-[bis(2-oxido-2-oxo-ethyl)amino]ethyl]amino]acetate CAS Name: pentacalcium 2-[bis[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate IUPAC Name: pentacalcium 2-[bis[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate Traditional Name: pentacalcium 2-[bis[2-[bis(2-keto-2-oxido-ethyl)amino]ethyl]amino]acetate Formula: C28H36Ca5N6O20 MolecularWeight: 977.00364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H23N3O10.5Ca/c2*18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h2*1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;/q;;5*+2/p-10