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

Systemtic Name: ethyl (3S,4R,5S,6S)-4-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanyl-5-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3S,4R,5S,6S)-4-acetamido-3-(tert-butoxycarbonylamino)-5-(1-ethylpropoxy)-6-hydroxy-cyclohexene-1-carboxylate CAS Name: (3S,4R,5S,6S)-4-acetamido-6-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R,5S,6S)-4-acetamido-6-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3S,4R,5S,6S)-4-acetamido-3-(tert-butoxycarbonylamino)-5-(1-ethylpropoxy)-6-hydroxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C21H36N2O7 MolecularWeight: 428.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C(C(C=C(C1O)C(=O)OCC)NC(=O)OC(C)(C)C)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O7/c1-8-13(9-2)29-18-16(22-12(4)24)15(23-20(27)30-21(5,6)7)11-14(17(18)25)19(26)28-10-3/h11,13,15-18,25H,8-10H2,1-7H3,(H,22,24)(H,23,27)/t15-,16+,17-,18-/m0/s1