[1,1-bis[2,6-bis(azanyl)hexanoyloxy]-1,2,3-tris(oxidanyl)propan-2-yl] 2,6-bis(azanyl)hexanoate

Systemtic Name: [1,1-bis[2,6-bis(azanyl)hexanoyloxy]-1,2,3-tris(oxidanyl)propan-2-yl] 2,6-bis(azanyl)hexanoate Openeye Name: [2,2-bis(2,6-diaminohexanoyloxy)-1,2-dihydroxy-1-(hydroxymethyl)ethyl] 2,6-diaminohexanoate CAS Name: 2,6-diaminohexanoic acid [1,1-bis(2,6-diamino-1-oxohexoxy)-1,2,3-trihydroxypropan-2-yl] ester IUPAC Name: [1,1-bis(2,6-diaminohexanoyloxy)-1,2,3-trihydroxypropan-2-yl] 2,6-diaminohexanoate Traditional Name: 2,6-diaminohexanoic acid [2,2-bis(2,6-diaminohexanoyloxy)-1,2-dihydroxy-1-methylol-ethyl] ester Formula: C21H44N6O9 MolecularWeight: 524.60886

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Descriptors Computed from Structure

Canonical SMILES:

C(CCN)CC(C(=O)OC(CO)(C(O)(OC(=O)C(CCCCN)N)OC(=O)C(CCCCN)N)O)N

Isomeric SMILES

C(CCN)CC(C(=O)OC(CO)(C(O)(OC(=O)C(CCCCN)N)OC(=O)C(CCCCN)N)O)N

InChI

InChI=1S/C21H44N6O9/c22-10-4-1-7-14(25)17(29)34-20(32,13-28)21(33,35-18(30)15(26)8-2-5-11-23)36-19(31)16(27)9-3-6-12-24/h14-16,28,32-33H,1-13,22-27H2