(2R)-3-[4-[(tert-butylcarbamoylamino)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2R)-3-[4-[(tert-butylcarbamoylamino)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-[4-[(tert-butylcarbamoylamino)methyl]phenyl]propanoic acid CAS Name: (2R)-3-[4-[[[(tert-butylamino)-oxomethyl]amino]methyl]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-3-[4-[(tert-butylcarbamoylamino)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-[4-[(tert-butylcarbamoylamino)methyl]phenyl]propionic acid Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NCC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)NC(=O)NCC1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O5/c1-19(2,3)23-17(26)21-12-14-9-7-13(8-10-14)11-15(16(24)25)22-18(27)28-20(4,5)6/h7-10,15H,11-12H2,1-6H3,(H,22,27)(H,24,25)(H2,21,23,26)/t15-/m1/s1