[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H36N2O5 MolecularWeight: 408.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCCNC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H36N2O5/c1-14(28-18(25)6-5-7-23-20(27)29-21(2,3)4)19(26)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h14-17H,5-13H2,1-4H3,(H,23,27)(H,24,26)/t14-,15?,16?,17?,22?/m1/s1