(2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-3-[1-[2-adamantyloxy(oxo)methyl]-4-imidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-(tert-butoxycarbonylamino)propionic acid Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(=O)OC2C3CC4CC(C3)CC2C4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C(=O)OC2C3CC4CC(C3)CC2C4)C(=O)O

InChI

InChI=1S/C22H31N3O6/c1-22(2,3)31-20(28)24-17(19(26)27)9-16-10-25(11-23-16)21(29)30-18-14-5-12-4-13(7-14)8-15(18)6-12/h10-15,17-18H,4-9H2,1-3H3,(H,24,28)(H,26,27)/t12?,13?,14?,15?,17-,18?/m0/s1