[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C29H35N3O4 MolecularWeight: 489.6059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC=C4CC5=CC=CC=C5

InChI

InChI=1S/C29H35N3O4/c33-26(31-25-9-5-4-8-24(25)15-20-6-2-1-3-7-20)19-36-27(34)10-11-30-28(35)32-29-16-21-12-22(17-29)14-23(13-21)18-29/h1-9,21-23H,10-19H2,(H,31,33)(H2,30,32,35)