(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=COC(=N4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=COC(=N4)C5=CC=CS5

InChI

InChI=1S/C22H27N3O4S/c26-19(28-12-17-13-29-20(24-17)18-2-1-5-30-18)3-4-23-21(27)25-22-9-14-6-15(10-22)8-16(7-14)11-22/h1-2,5,13-16H,3-4,6-12H2,(H2,23,25,27)