ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(2S)-1-cyclohexylbutan-2-yl]oxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(2S)-1-cyclohexylbutan-2-yl]oxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(1S)-1-(cyclohexylmethyl)propoxy]cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-4-acetamido-5-azido-3-[(2S)-1-cyclohexylbutan-2-yl]oxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-[(2S)-1-cyclohexylbutan-2-yl]oxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-acetamido-5-azido-3-[(1S)-1-(cyclohexylmethyl)propoxy]cyclohexene-1-carboxylic acid ethyl ester Formula: C21H34N4O4 MolecularWeight: 406.51906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCCC1)OC2C=C(CC(C2NC(=O)C)N=[N+]=[N-])C(=O)OCC

Isomeric SMILES

CC[C@@H](CC1CCCCC1)O[C@@H]2C=C(C[C@@H]([C@H]2NC(=O)C)N=[N+]=[N-])C(=O)OCC

InChI

InChI=1S/C21H34N4O4/c1-4-17(11-15-9-7-6-8-10-15)29-19-13-16(21(27)28-5-2)12-18(24-25-22)20(19)23-14(3)26/h13,15,17-20H,4-12H2,1-3H3,(H,23,26)/t17-,18-,19+,20+/m0/s1