[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate Traditional Name: (2S)-2-(2-furoylamino)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H28N2O5/c1-13(23-19(25)17-3-2-4-27-17)20(26)28-11-18(24)22-12-21-8-14-5-15(9-21)7-16(6-14)10-21/h2-4,13-16H,5-12H2,1H3,(H,22,24)(H,23,25)/t13-,14?,15?,16?,21?/m0/s1