[1,4-bis(azanyl)-5-cyclohexyl-2-oxidanyl-pentan-3-yl] ethanoate

Systemtic Name: [1,4-bis(azanyl)-5-cyclohexyl-2-oxidanyl-pentan-3-yl] ethanoate Openeye Name: [3-amino-1-(1-amino-2-cyclohexyl-ethyl)-2-hydroxy-propyl] acetate CAS Name: acetic acid (1,4-diamino-5-cyclohexyl-2-hydroxypentan-3-yl) ester IUPAC Name: (1,4-diamino-5-cyclohexyl-2-hydroxypentan-3-yl) acetate Traditional Name: acetic acid [3-amino-1-(1-amino-2-cyclohexyl-ethyl)-2-hydroxy-propyl] ester Formula: C13H26N2O3 MolecularWeight: 258.35714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(CC1CCCCC1)N)C(CN)O

Isomeric SMILES

CC(=O)OC(C(CC1CCCCC1)N)C(CN)O

InChI

InChI=1S/C13H26N2O3/c1-9(16)18-13(12(17)8-14)11(15)7-10-5-3-2-4-6-10/h10-13,17H,2-8,14-15H2,1H3