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

Systemtic Name: (2S)-3-(3-methanoyl-4-phenylmethoxy-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-3-(4-benzyloxy-3-formyl-phenyl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(3-formyl-4-phenylmethoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(3-formyl-4-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-3-(4-benzoxy-3-formyl-phenyl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO6/c1-22(2,3)29-21(27)23-18(20(25)26)12-16-9-10-19(17(11-16)13-24)28-14-15-7-5-4-6-8-15/h4-11,13,18H,12,14H2,1-3H3,(H,23,27)(H,25,26)/t18-/m0/s1