[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C(C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4/c1-12(2)10-21-17(23)11-26-18(24)13(3)22-19(25)20-7-14-4-15(8-20)6-16(5-14)9-20/h12-16H,4-11H2,1-3H3,(H,21,23)(H,22,25)/t13-,14?,15?,16?,20?/m0/s1