[2-[3-oxidanylidene-3-(2-phenylethanoyloxy)prop-1-ynyl]phenyl] (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: [2-[3-oxidanylidene-3-(2-phenylethanoyloxy)prop-1-ynyl]phenyl] (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [2-[3-oxo-3-(2-phenylacetyl)oxy-prop-1-ynyl]phenyl] (2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoate CAS Name: (2R)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [2-[3-oxo-3-(1-oxo-2-phenylethoxy)prop-1-ynyl]phenyl] ester IUPAC Name: [2-[3-oxo-3-(2-phenylacetyl)oxyprop-1-ynyl]phenyl] (2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-4-methyl-valeric acid [2-[3-keto-3-(2-phenylacetyl)oxy-prop-1-ynyl]phenyl] ester Formula: C28H31NO7 MolecularWeight: 493.54824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC=CC=C1C#CC(=O)OC(=O)CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@H](C(=O)OC1=CC=CC=C1C#CC(=O)OC(=O)CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H31NO7/c1-19(2)17-22(29-27(33)36-28(3,4)5)26(32)34-23-14-10-9-13-21(23)15-16-24(30)35-25(31)18-20-11-7-6-8-12-20/h6-14,19,22H,17-18H2,1-5H3,(H,29,33)/t22-/m1/s1