3-(5-bromanyl-1H-indol-3-yl)-2-(5-phenylpentanoylamino)propanoic acid

Systemtic Name: 3-(5-bromanyl-1H-indol-3-yl)-2-(5-phenylpentanoylamino)propanoic acid Openeye Name: 3-(5-bromo-1H-indol-3-yl)-2-(5-phenylpentanoylamino)propanoic acid CAS Name: 3-(5-bromo-1H-indol-3-yl)-2-[(1-oxo-5-phenylpentyl)amino]propanoic acid IUPAC Name: 3-(5-bromo-1H-indol-3-yl)-2-(5-phenylpentanoylamino)propanoic acid Traditional Name: 3-(5-bromo-1H-indol-3-yl)-2-(5-phenylpentanoylamino)propionic acid Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(=O)NC(CC2=CNC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(=O)NC(CC2=CNC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H23BrN2O3/c23-17-10-11-19-18(13-17)16(14-24-19)12-20(22(27)28)25-21(26)9-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,10-11,13-14,20,24H,4-5,8-9,12H2,(H,25,26)(H,27,28)