[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-3-ethanoyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-pentanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-3-ethanoyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-pentanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-3-acetyl-2-(tert-butoxycarbonylamino)-4-oxo-pentanoate CAS Name: (2S)-3-acetyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxopentanoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-3-acetyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate Traditional Name: (2S)-3-acetyl-2-(tert-butoxycarbonylamino)-4-keto-valeric acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H37NO6 MolecularWeight: 411.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(C(=O)C)C(=O)C)NC(=O)OC(C)(C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](C(C(=O)C)C(=O)C)NC(=O)OC(C)(C)C)C(C)C

InChI

InChI=1S/C22H37NO6/c1-12(2)16-10-9-13(3)11-17(16)28-20(26)19(18(14(4)24)15(5)25)23-21(27)29-22(6,7)8/h12-13,16-19H,9-11H2,1-8H3,(H,23,27)/t13-,16+,17-,19+/m1/s1