(2S)-2-[3-(6-fluoranylindol-1-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[3-(6-fluoranylindol-1-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[3-(6-fluoroindol-1-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[3-(6-fluoro-1-indolyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[3-(6-fluoroindol-1-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[3-(6-fluoroindol-1-yl)propanoylamino]-3-(1H-indol-3-yl)propionate Formula: C22H19FN3O3- MolecularWeight: 392.402963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)CCN3C=CC4=C3C=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)CCN3C=CC4=C3C=C(C=C4)F

InChI

InChI=1S/C22H20FN3O3/c23-16-6-5-14-7-9-26(20(14)12-16)10-8-21(27)25-19(22(28)29)11-15-13-24-18-4-2-1-3-17(15)18/h1-7,9,12-13,19,24H,8,10-11H2,(H,25,27)(H,28,29)/p-1/t19-/m0/s1