(2S)-2-[3-(5-bromanylindol-1-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[3-(5-bromanylindol-1-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[3-(5-bromoindol-1-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(5-bromo-1-indolyl)-1-oxopropyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[3-(5-bromoindol-1-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(5-bromoindol-1-yl)propanoylamino]-3-phenyl-propionate Formula: C20H18BrN2O3- MolecularWeight: 414.27252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)CCN2C=CC3=C2C=CC(=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)CCN2C=CC3=C2C=CC(=C3)Br

InChI

InChI=1S/C20H19BrN2O3/c21-16-6-7-18-15(13-16)8-10-23(18)11-9-19(24)22-17(20(25)26)12-14-4-2-1-3-5-14/h1-8,10,13,17H,9,11-12H2,(H,22,24)(H,25,26)/p-1/t17-/m0/s1