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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N4O4S/c1-12(25)22-19-23-16(11-29-19)10-28-17(26)2-3-21-18(27)24-20-7-13-4-14(8-20)6-15(5-13)9-20/h11,13-15H,2-10H2,1H3,(H2,21,24,27)(H,22,23,25)