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

Systemtic Name: (2S)-3-[4-(6-azanylhexoxy)phenyl]-2-(3-phenylpropanoylamino)propanoic acid Openeye Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-(3-phenylpropanoylamino)propanoic acid CAS Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-(3-phenylpropanoylamino)propanoic acid Traditional Name: (2S)-3-[4-(6-aminohexoxy)phenyl]-2-(hydrocinnamoylamino)propionic acid Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4/c25-16-6-1-2-7-17-30-21-13-10-20(11-14-21)18-22(24(28)29)26-23(27)15-12-19-8-4-3-5-9-19/h3-5,8-11,13-14,22H,1-2,6-7,12,15-18,25H2,(H,26,27)(H,28,29)/t22-/m0/s1