[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NOC(=N1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)CC1=NOC(=N1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H32N4O4/c1-13(2)5-17-23-18(29-25-17)12-28-19(26)3-4-22-20(27)24-21-9-14-6-15(10-21)8-16(7-14)11-21/h13-16H,3-12H2,1-2H3,(H2,22,24,27)