2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]aziridin-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]aziridin-1-yl]-3-phenyl-propanoic acid Openeye Name: 2-[2-[(tert-butoxycarbonylamino)methyl]aziridin-1-yl]-3-phenyl-propanoic acid CAS Name: 2-[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-aziridinyl]-3-phenylpropanoic acid IUPAC Name: 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]aziridin-1-yl]-3-phenylpropanoic acid Traditional Name: 2-[2-[(tert-butoxycarbonylamino)methyl]ethylenimin-1-yl]-3-phenyl-propionic acid Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CN1C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CN1C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-10-13-11-19(13)14(15(20)21)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,18,22)(H,20,21)