[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[2-(furan-2-ylcarbonylamino)ethanoylamino]ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[2-(furan-2-ylcarbonylamino)ethanoylamino]ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate CAS Name: 2-[[2-[[2-furanyl(oxo)methyl]amino]-1-oxoethyl]amino]acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate Traditional Name: 2-[[2-(2-furoylamino)acetyl]amino]acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H27N3O6 MolecularWeight: 417.45558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNC(=O)CNC(=O)C4=CC=CO4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)CNC(=O)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C21H27N3O6/c25-17(10-23-20(28)16-2-1-3-29-16)22-11-19(27)30-12-18(26)24-21-7-13-4-14(8-21)6-15(5-13)9-21/h1-3,13-15H,4-12H2,(H,22,25)(H,23,28)(H,24,26)