(2R)-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: (2R)-2-benzyl-3-[[4-(tert-butoxycarbonylamino)-1-piperidyl]sulfonyl]propanoic acid CAS Name: (2R)-2-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: (2R)-2-benzyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]sulfonylpropanoic acid Traditional Name: (2R)-2-benzyl-3-[4-(tert-butoxycarbonylamino)piperidino]sulfonyl-propionic acid Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)S(=O)(=O)C[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H30N2O6S/c1-20(2,3)28-19(25)21-17-9-11-22(12-10-17)29(26,27)14-16(18(23)24)13-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3,(H,21,25)(H,23,24)/t16-/m0/s1