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

Systemtic Name: ethyl (3R,4R,5S)-4-(ethanoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4R,5S)-4-(acetylamino)-5-(tert-butoxycarbonylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylate CAS Name: (3R,4R,5S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(1-oxoethylamino)-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4R,5S)-4-(acetylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4R,5S)-4-(acetylamino)-5-(tert-butoxycarbonylamino)-3-(1-ethylpropoxy)cyclohexene-1-carboxylic acid ethyl ester Formula: C21H36N2O6 MolecularWeight: 411.521074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1N[11C](=O)C)NC(=O)OC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C21H36N2O6/c1-8-15(9-2)28-17-12-14(19(25)27-10-3)11-16(18(17)22-13(4)24)23-20(26)29-21(5,6)7/h12,15-18H,8-11H2,1-7H3,(H,22,24)(H,23,26)/t16-,17+,18+/m0/s1/i13-1