2-azanyl-2-[5-azanyl-2-methyl-6-[2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-oxan-3-yl]imino-ethanoic acid hydrate hydrochloride

Systemtic Name: 2-azanyl-2-[5-azanyl-2-methyl-6-[2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-oxan-3-yl]imino-ethanoic acid hydrate hydrochloride Openeye Name: 2-amino-2-[5-amino-2-methyl-6-(2,3,4,5,6-pentahydroxycyclohexoxy)tetrahydropyran-3-yl]imino-acetic acid hydrate hydrochloride CAS Name: 2-amino-2-[[5-amino-2-methyl-6-(2,3,4,5,6-pentahydroxycyclohexyl)oxy-3-oxanyl]imino]acetic acid hydrate hydrochloride IUPAC Name: 2-amino-2-[5-amino-2-methyl-6-(2,3,4,5,6-pentahydroxycyclohexyl)oxyoxan-3-yl]iminoacetic acid hydrate hydrochloride Traditional Name: 2-amino-2-[5-amino-2-methyl-6-(2,3,4,5,6-pentahydroxycyclohexoxy)tetrahydropyran-3-yl]imino-acetic acid hydrate hydrochloride Formula: C14H28ClN3O10 MolecularWeight: 433.83922

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.O.Cl

Isomeric SMILES

CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.O.Cl

InChI

InChI=1S/C14H25N3O9.ClH.H2O/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H;1H2