methyl (2S)-3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-[3-(1-adamantyloxymethyl)-4-imidazolyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1COC23CC4CC(C2)CC(C4)C3)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@H](CC1=CN=CN1COC23CC4CC(C2)CC(C4)C3)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H33N3O5/c1-32-24(30)23(28-25(31)33-15-18-5-3-2-4-6-18)10-22-14-27-16-29(22)17-34-26-11-19-7-20(12-26)9-21(8-19)13-26/h2-6,14,16,19-21,23H,7-13,15,17H2,1H3,(H,28,31)/t19?,20?,21?,23-,26?/m0/s1