S-ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanethioate

Systemtic Name: S-ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanethioate Openeye Name: S-ethyl (2S)-5-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)pentanethioate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(phenylmethoxycarbonylamino)pentanethioic acid S-ethyl ester IUPAC Name: S-ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanethioate Traditional Name: (2S)-5-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)pentanethioic acid S-ethyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(CCCNC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCSC(=O)[C@H](CCCNC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30N2O5S/c1-5-28-17(23)16(22-19(25)27-20(2,3)4)12-9-13-21-18(24)26-14-15-10-7-6-8-11-15/h6-8,10-11,16H,5,9,12-14H2,1-4H3,(H,21,24)(H,22,25)/t16-/m0/s1