[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC(=O)NC(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC(=O)NC(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C22H35N3O5/c1-12(2)18(19(27)30-11-17(26)24-21(29)23-13(3)4)25-20(28)22-8-14-5-15(9-22)7-16(6-14)10-22/h12-16,18H,5-11H2,1-4H3,(H,25,28)(H2,23,24,26,29)/t14?,15?,16?,18-,22?/m1/s1