4-acetamido-5-(3-azido-2-oxidanyl-propyl)-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid

Systemtic Name: 4-acetamido-5-(3-azido-2-oxidanyl-propyl)-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid Openeye Name: 4-acetamido-5-(3-azido-2-hydroxy-propyl)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid CAS Name: 4-acetamido-5-(3-azido-2-hydroxypropyl)-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid IUPAC Name: 4-acetamido-5-(3-azido-2-hydroxypropyl)-3-pentan-3-yloxycyclohexene-1-carboxylic acid Traditional Name: 4-acetamido-5-(3-azido-2-hydroxy-propyl)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid Formula: C17H28N4O5 MolecularWeight: 368.42802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1NC(=O)C)CC(CN=[N+]=[N-])O)C(=O)O

Isomeric SMILES

CCC(CC)OC1C=C(CC(C1NC(=O)C)CC(CN=[N+]=[N-])O)C(=O)O

InChI

InChI=1S/C17H28N4O5/c1-4-14(5-2)26-15-8-12(17(24)25)6-11(16(15)20-10(3)22)7-13(23)9-19-21-18/h8,11,13-16,23H,4-7,9H2,1-3H3,(H,20,22)(H,24,25)