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

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentyl] methanesulfonate Openeye Name: [5-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)pentyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(phenylmethoxycarbonylamino)pentyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)pentyl] ester Formula: C19H30N2O7S MolecularWeight: 430.5157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O7S/c1-19(2,3)28-18(23)21-16(14-27-29(4,24)25)11-8-12-20-17(22)26-13-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3,(H,20,22)(H,21,23)