prop-2-ynyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethoxymethyl)imidazol-4-yl]propanoate

Systemtic Name: prop-2-ynyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethoxymethyl)imidazol-4-yl]propanoate Openeye Name: prop-2-ynyl (2S)-3-[1-(benzyloxymethyl)imidazol-4-yl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[1-(phenylmethoxymethyl)-4-imidazolyl]propanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(phenylmethoxymethyl)imidazol-4-yl]propanoate Traditional Name: (2S)-3-[1-(benzoxymethyl)imidazol-4-yl]-2-(tert-butoxycarbonylamino)propionic acid propargyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)COCC2=CC=CC=C2)C(=O)OCC#C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)COCC2=CC=CC=C2)C(=O)OCC#C

InChI

InChI=1S/C22H27N3O5/c1-5-11-29-20(26)19(24-21(27)30-22(2,3)4)12-18-13-25(15-23-18)16-28-14-17-9-7-6-8-10-17/h1,6-10,13,15,19H,11-12,14,16H2,2-4H3,(H,24,27)/t19-/m0/s1