(phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)-5-(phenylmethoxycarbonylcarbamothioylamino)pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-(phenylmethoxycarbonylamino)-5-(phenylmethoxycarbonylcarbamothioylamino)pentanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-5-(benzyloxycarbonylcarbamothioylamino)pentanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-5-[[phenylmethoxycarbonylamino(sulfanylidene)methyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(phenylmethoxycarbonylamino)-5-(phenylmethoxycarbonylcarbamothioylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-(carbobenzoxythiocarbamoylamino)valeric acid benzyl ester Formula: C29H31N3O6S MolecularWeight: 549.63794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCNC(=S)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CCCNC(=S)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O6S/c33-26(36-19-22-11-4-1-5-12-22)25(31-28(34)37-20-23-13-6-2-7-14-23)17-10-18-30-27(39)32-29(35)38-21-24-15-8-3-9-16-24/h1-9,11-16,25H,10,17-21H2,(H,31,34)(H2,30,32,35,39)/t25-/m0/s1