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

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H33N3O5S/c1-32-21-5-3-4-20(23(21)33-2)24-28-19(15-35-24)14-34-22(30)6-7-27-25(31)29-26-11-16-8-17(12-26)10-18(9-16)13-26/h3-5,15-18H,6-14H2,1-2H3,(H2,27,29,31)