[2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-(3-oxidanylidenecyclopropen-1-yl)hexyl] ethanoate

Systemtic Name: [2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-(3-oxidanylidenecyclopropen-1-yl)hexyl] ethanoate Openeye Name: [2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-1-(3-oxocyclopropen-1-yl)hexyl] acetate CAS Name: acetic acid [2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-(3-oxo-1-cyclopropenyl)hexyl] ester IUPAC Name: [2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-(3-oxocyclopropen-1-yl)hexyl] acetate Traditional Name: acetic acid [2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-1-(3-ketocyclopropen-1-yl)hexyl] ester Formula: C25H34N2O6 MolecularWeight: 458.54726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C1=CC1=O)OC(=O)C)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(C1=CC1=O)OC(=O)C)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H34N2O6/c1-5-6-12-20(23(33-17(4)28)19-14-22(19)29)26-24(30)21(13-16(2)3)27-25(31)32-15-18-10-8-7-9-11-18/h7-11,14,16,20-21,23H,5-6,12-13,15H2,1-4H3,(H,26,30)(H,27,31)