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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4)OC

InChI

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