(2S)-3-(5-bromanyl-2-methoxy-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(5-bromanyl-2-methoxy-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-(5-bromo-2-methoxy-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid CAS Name: (2S)-3-(5-bromo-2-methoxyphenyl)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-(5-bromo-2-methoxy-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid Formula: C25H22BrNO5 MolecularWeight: 496.34988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C25H22BrNO5/c1-31-23-11-10-16(26)12-15(23)13-22(24(28)29)27-25(30)32-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-12,21-22H,13-14H2,1H3,(H,27,30)(H,28,29)/t22-/m0/s1