ethyl (3R,4R,5S)-4-acetamido-5-azido-3-decoxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-decoxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-decoxy-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-decoxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-decoxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-decoxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C21H36N4O4 MolecularWeight: 408.53494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1C=C(CC(C1NC(=O)C)N=[N+]=[N-])C(=O)OCC

Isomeric SMILES

CCCCCCCCCCO[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N=[N+]=[N-])C(=O)OCC

InChI

InChI=1S/C21H36N4O4/c1-4-6-7-8-9-10-11-12-13-29-19-15-17(21(27)28-5-2)14-18(24-25-22)20(19)23-16(3)26/h15,18-20H,4-14H2,1-3H3,(H,23,26)/t18-,19+,20+/m0/s1