(2S)-3-(4-diethoxyphosphoryloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOP(=O)(OCC)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H28NO8P/c1-6-24-28(23,25-7-2)27-14-10-8-13(9-11-14)12-15(16(20)21)19-17(22)26-18(3,4)5/h8-11,15H,6-7,12H2,1-5H3,(H,19,22)(H,20,21)/t15-/m0/s1