[(2R,3S)-7-azanyl-1,3,6-tris(oxidanyl)heptan-2-yl] ethanoate

Systemtic Name: [(2R,3S)-7-azanyl-1,3,6-tris(oxidanyl)heptan-2-yl] ethanoate Openeye Name: [(1R,2S)-6-amino-2,5-dihydroxy-1-(hydroxymethyl)hexyl] acetate CAS Name: acetic acid [(2R,3S)-7-amino-1,3,6-trihydroxyheptan-2-yl] ester IUPAC Name: [(2R,3S)-7-amino-1,3,6-trihydroxyheptan-2-yl] acetate Traditional Name: acetic acid [(1R,2S)-6-amino-2,5-dihydroxy-1-methylol-hexyl] ester Formula: C9H19NO5 MolecularWeight: 221.25086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CO)C(CCC(CN)O)O

Isomeric SMILES

CC(=O)O[C@H](CO)[C@H](CCC(CN)O)O

InChI

InChI=1S/C9H19NO5/c1-6(12)15-9(5-11)8(14)3-2-7(13)4-10/h7-9,11,13-14H,2-5,10H2,1H3/t7?,8-,9+/m0/s1