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3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid

3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid

Systemtic Name:3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid
Openeye Name:3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid
CAS Name:3-(1H-indol-3-yl)-2-[(1-oxo-4-phenylbutyl)amino]propanoic acid
IUPAC Name:3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid
Traditional Name:3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propionic acid
Formula: C21H22N2O3
MolecularWeight: 350.41098
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O


InChI

InChI=1S/C21H22N2O3/c24-20(12-6-9-15-7-2-1-3-8-15)23-19(21(25)26)13-16-14-22-18-11-5-4-10-17(16)18/h1-5,7-8,10-11,14,19,22H,6,9,12-13H2,(H,23,24)(H,25,26)


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