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

Systemtic Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(4-methoxyphenyl)thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(4-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(4-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-31-21-4-2-19(3-5-21)23-27-20(15-33-23)14-32-22(29)6-7-26-24(30)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h2-5,15-18H,6-14H2,1H3,(H2,26,28,30)