[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(4-fluorophenyl)thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(4-fluorophenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(4-fluorophenyl)thiazol-4-yl]methyl ester Formula: C24H28FN3O3S MolecularWeight: 457.560823

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CSC(=N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CSC(=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C24H28FN3O3S/c25-19-3-1-18(2-4-19)22-27-20(14-32-22)13-31-21(29)5-6-26-23(30)28-24-10-15-7-16(11-24)9-17(8-15)12-24/h1-4,14-17H,5-13H2,(H2,26,28,30)