[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H36N2O4/c1-3-7-22(21-8-5-4-6-9-21)28-24(30)17(2)32-23(29)16-27-25(31)26-13-18-10-19(14-26)12-20(11-18)15-26/h4-6,8-9,17-20,22H,3,7,10-16H2,1-2H3,(H,27,31)(H,28,30)