[2-azanyl-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl] 2-acetamido-4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: [2-azanyl-4,5,6-tris(oxidanyl)-1-oxidanylidene-hexan-3-yl] 2-acetamido-4-azanyl-4-oxidanylidene-butanoate Openeye Name: [1-(1-amino-2-oxo-ethyl)-2,3,4-trihydroxy-butyl] 2-acetamido-4-amino-4-oxo-butanoate CAS Name: 2-acetamido-4-amino-4-oxobutanoic acid (2-amino-4,5,6-trihydroxy-1-oxohexan-3-yl) ester IUPAC Name: (2-amino-4,5,6-trihydroxy-1-oxohexan-3-yl) 2-acetamido-4-amino-4-oxobutanoate Traditional Name: 2-acetamido-4-amino-4-keto-butyric acid [1-(1-amino-2-keto-ethyl)-2,3,4-trihydroxy-butyl] ester Formula: C12H21N3O8 MolecularWeight: 335.31044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N)C(=O)OC(C(C=O)N)C(C(CO)O)O

Isomeric SMILES

CC(=O)NC(CC(=O)N)C(=O)OC(C(C=O)N)C(C(CO)O)O

InChI

InChI=1S/C12H21N3O8/c1-5(18)15-7(2-9(14)20)12(22)23-11(6(13)3-16)10(21)8(19)4-17/h3,6-8,10-11,17,19,21H,2,4,13H2,1H3,(H2,14,20)(H,15,18)