O1-ethyl O6-(phenylmethyl) (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-ynedioate

Systemtic Name: O1-ethyl O6-(phenylmethyl) (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-ynedioate Openeye Name: O6-benzyl O1-ethyl (5S)-5-(tert-butoxycarbonylamino)hex-2-ynedioate CAS Name: (5S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-hexynedioic acid O1-ethyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-ethyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-ynedioate Traditional Name: (5S)-5-(tert-butoxycarbonylamino)hex-2-ynedioic acid O6-benzyl ester O1-ethyl ester Formula: C20H25NO6 MolecularWeight: 375.4156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CCC(C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C#CC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H25NO6/c1-5-25-17(22)13-9-12-16(21-19(24)27-20(2,3)4)18(23)26-14-15-10-7-6-8-11-15/h6-8,10-11,16H,5,12,14H2,1-4H3,(H,21,24)/t16-/m0/s1