(2S)-3-[4-(6-azanylhexoxy)phenyl]-2-(2-phenylethanoylamino)propanoic acid

Systemtic Name: (2S)-3-[4-(6-azanylhexoxy)phenyl]-2-(2-phenylethanoylamino)propanoic acid Openeye Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-[(2-phenylacetyl)amino]propanoic acid CAS Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-[(1-oxo-2-phenylethyl)amino]propanoic acid IUPAC Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-[(2-phenylacetyl)amino]propanoic acid Traditional Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-[(2-phenylacetyl)amino]propionic acid Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(CC2=CC=C(C=C2)OCCCCCCN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c24-14-6-1-2-7-15-29-20-12-10-19(11-13-20)16-21(23(27)28)25-22(26)17-18-8-4-3-5-9-18/h3-5,8-13,21H,1-2,6-7,14-17,24H2,(H,25,26)(H,27,28)/t21-/m0/s1