(3R,4R,5S)-4-acetamido-5-azanyl-3-[(3R)-1-oxidanyl-1-oxidanylidene-pentan-3-yl]oxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4R,5S)-4-acetamido-5-azanyl-3-[(3R)-1-oxidanyl-1-oxidanylidene-pentan-3-yl]oxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(1R)-1-ethyl-3-hydroxy-3-oxo-propoxy]cyclohexene-1-carboxylic acid CAS Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(3R)-1-hydroxy-1-oxopentan-3-yl]oxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(3R)-1-hydroxy-1-oxopentan-3-yl]oxycyclohexene-1-carboxylic acid Traditional Name: (3R,4R,5S)-4-acetamido-5-amino-3-[(1R)-1-ethyl-3-hydroxy-3-keto-propoxy]cyclohexene-1-carboxylic acid Formula: C14H22N2O6 MolecularWeight: 314.33428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)OC1C=C(CC(C1NC(=O)C)N)C(=O)O

Isomeric SMILES

CC[C@H](CC(=O)O)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O

InChI

InChI=1S/C14H22N2O6/c1-3-9(6-12(18)19)22-11-5-8(14(20)21)4-10(15)13(11)16-7(2)17/h5,9-11,13H,3-4,6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t9-,10+,11-,13-/m1/s1