(2S)-2-[2-(6-bromanylindol-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: (2S)-2-[2-(6-bromanylindol-1-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-(6-bromo-1-indolyl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoate IUPAC Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propionate Formula: C21H17BrN3O3- MolecularWeight: 439.28198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])NC(=O)CN3C=CC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)CN3C=CC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3/c22-15-6-5-13-7-8-25(19(13)10-15)12-20(26)24-18(21(27)28)9-14-11-23-17-4-2-1-3-16(14)17/h1-8,10-11,18,23H,9,12H2,(H,24,26)(H,27,28)/p-1/t18-/m0/s1