ethyl (3R,4R,5S,6R)-4-acetamido-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4R,5S,6R)-4-acetamido-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S,6R)-4-acetamido-5-(tert-butoxycarbonylamino)-3-(1-ethylpropoxy)-6-methyl-cyclohexene-1-carboxylate CAS Name: (3R,4R,5S,6R)-4-acetamido-6-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S,6R)-4-acetamido-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S,6R)-4-acetamido-5-(tert-butoxycarbonylamino)-3-(1-ethylpropoxy)-6-methyl-cyclohexene-1-carboxylic acid ethyl ester Formula: C22H38N2O6 MolecularWeight: 426.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(C(C(C1NC(=O)C)NC(=O)OC(C)(C)C)C)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C([C@H]([C@@H]([C@H]1NC(=O)C)NC(=O)OC(C)(C)C)C)C(=O)OCC

InChI

InChI=1S/C22H38N2O6/c1-9-15(10-2)29-17-12-16(20(26)28-11-3)13(4)18(19(17)23-14(5)25)24-21(27)30-22(6,7)8/h12-13,15,17-19H,9-11H2,1-8H3,(H,23,25)(H,24,27)/t13-,17-,18+,19+/m1/s1