S-[(2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-oxidanylidene-3-(2-phenylhydrazinyl)propyl] hexadecanethioate

Systemtic Name: S-[(2R)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-3-oxidanylidene-3-(2-phenylhydrazinyl)propyl] hexadecanethioate Openeye Name: S-[(2R)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-oxo-3-(2-phenylhydrazino)propyl] hexadecanethioate CAS Name: hexadecanethioic acid S-[(2R)-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-3-oxo-3-(phenylhydrazo)propyl] ester IUPAC Name: S-[(2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-oxo-3-(2-phenylhydrazinyl)propyl] hexadecanethioate Traditional Name: hexadecanethioic acid S-[(2R)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-keto-3-(N'-phenylhydrazino)propyl] ester Formula: C32H54N4O5S MolecularWeight: 606.85996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)SCC(C(=O)NNC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)NNC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C32H54N4O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29(38)42-25-27(30(39)36-35-26-21-18-17-19-22-26)34-28(37)24-33-31(40)41-32(2,3)4/h17-19,21-22,27,35H,5-16,20,23-25H2,1-4H3,(H,33,40)(H,34,37)(H,36,39)/t27-/m0/s1