(2S)-3-[4-(8-azanyloctoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[4-(8-azanyloctoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[4-(8-aminooctoxy)phenyl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: (2S)-3-[4-(8-aminooctoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[4-(8-aminooctoxy)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[4-(8-aminooctoxy)phenyl]-2-(benzyloxycarbonylamino)propionic acid Formula: C25H34N2O5 MolecularWeight: 442.54786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OCCCCCCCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC=C(C=C2)OCCCCCCCCN)C(=O)O

InChI

InChI=1S/C25H34N2O5/c26-16-8-3-1-2-4-9-17-31-22-14-12-20(13-15-22)18-23(24(28)29)27-25(30)32-19-21-10-6-5-7-11-21/h5-7,10-15,23H,1-4,8-9,16-19,26H2,(H,27,30)(H,28,29)/t23-/m0/s1