(2-ethyl-1,3-thiazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (2-ethylthiazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-ethylthiazol-4-yl)methyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29N3O3S/c1-2-17-22-16(12-27-17)11-26-18(24)3-4-21-19(25)23-20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15H,2-11H2,1H3,(H2,21,23,25)