S-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentyl] ethanethioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-15(23)28-14-17(22-19(25)27-20(2,3)4)11-8-12-21-18(24)26-13-16-9-6-5-7-10-16/h5-7,9-10,17H,8,11-14H2,1-4H3,(H,21,24)(H,22,25)