3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)pyrrolidin-2-yl]propyl methanesulfonate

Systemtic Name: 3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)pyrrolidin-2-yl]propyl methanesulfonate Openeye Name: 3-[(3S)-1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidin-2-yl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-2-pyrrolidinyl]propyl ester IUPAC Name: 3-[(3S)-1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[(3S)-1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidin-2-yl]propyl ester Formula: C20H32N2O5S MolecularWeight: 412.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(C1CCCOS(=O)(=O)C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCN(C1CCCOS(=O)(=O)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H32N2O5S/c1-20(2,3)27-19(23)21-17-12-13-22(15-16-9-6-5-7-10-16)18(17)11-8-14-26-28(4,24)25/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,21,23)/t17-,18?/m0/s1