ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-hex-5-en-3-yl]oxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-hex-5-en-3-yl]oxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(1S)-1-ethylbut-3-enoxy]cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-hex-5-en-3-yl]oxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(3S)-hex-5-en-3-yl]oxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-[(1S)-1-ethylbut-3-enoxy]cyclohexene-1-carboxylic acid ethyl ester Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4/c1-5-8-13(6-2)25-15-10-12(17(23)24-7-3)9-14(20-21-18)16(15)19-11(4)22/h5,10,13-16H,1,6-9H2,2-4H3,(H,19,22)/t13-,14-,15+,16+/m0/s1