(2S)-3-(3-methanoyloxy-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(3-methanoyloxy-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(4-benzyloxy-3-formyloxy-phenyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(3-formyloxy-4-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(3-formyloxy-4-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(4-benzoxy-3-formyloxy-phenyl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC=O)C(=O)O

InChI

InChI=1S/C22H25NO7/c1-22(2,3)30-21(27)23-17(20(25)26)11-16-9-10-18(19(12-16)29-14-24)28-13-15-7-5-4-6-8-15/h4-10,12,14,17H,11,13H2,1-3H3,(H,23,27)(H,25,26)/t17-/m0/s1