3-(3-diethoxyphosphoryl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(3-diethoxyphosphoryl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(3-diethoxyphosphoryl-4-hydroxy-phenyl)propanoic acid CAS Name: 3-(3-diethoxyphosphoryl-4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-diethoxyphosphoryl-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3-diethoxyphosphoryl-4-hydroxy-phenyl)propionic acid Formula: C18H28NO8P MolecularWeight: 417.390581

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)O)OCC

Isomeric SMILES

CCOP(=O)(C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)O)OCC

InChI

InChI=1S/C18H28NO8P/c1-6-25-28(24,26-7-2)15-11-12(8-9-14(15)20)10-13(16(21)22)19-17(23)27-18(3,4)5/h8-9,11,13,20H,6-7,10H2,1-5H3,(H,19,23)(H,21,22)