methyl (2S)-3-[3-(2-adamantyloxymethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[3-(2-adamantyloxymethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-[3-(2-adamantyloxymethyl)imidazol-4-yl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-3-[3-(2-adamantyloxymethyl)-4-imidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[3-(2-adamantyloxymethyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-[3-(2-adamantyloxymethyl)imidazol-4-yl]-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN=CN1COC2C3CC4CC(C3)CC2C4)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1COC2C3CC4CC(C3)CC2C4)C(=O)OC

InChI

InChI=1S/C23H35N3O5/c1-23(2,3)31-22(28)25-19(21(27)29-4)10-18-11-24-12-26(18)13-30-20-16-6-14-5-15(8-16)9-17(20)7-14/h11-12,14-17,19-20H,5-10,13H2,1-4H3,(H,25,28)/t14?,15?,16?,17?,19-,20?/m0/s1