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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5/c1-11(2)21-19(27)23-16(24)10-28-17(25)12(3)22-18(26)20-7-13-4-14(8-20)6-15(5-13)9-20/h11-15H,4-10H2,1-3H3,(H,22,26)(H2,21,23,24,27)/t12-,13?,14?,15?,20?/m0/s1