(2S)-2-[3-(6-bromanylindol-1-yl)propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[3-(6-bromanylindol-1-yl)propanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[3-(6-bromoindol-1-yl)propanoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[3-(6-bromo-1-indolyl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[3-(6-bromoindol-1-yl)propanoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[3-(6-bromoindol-1-yl)propanoylamino]-3-phenyl-propionic acid Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3/c21-16-7-6-15-8-10-23(18(15)13-16)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)/t17-/m0/s1