2-azanyl-3-[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[2-(5-bromoindan-1-yl)-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-(3-mercapto-1-oxopropyl)-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-1-(3-sulfanylpropanoyl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[2-(5-bromoindan-1-yl)-1-(3-mercaptopropanoyl)indol-3-yl]propionic acid Formula: C23H23BrN2O3S MolecularWeight: 487.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C3=C(C4=CC=CC=C4N3C(=O)CCS)CC(C(=O)O)N)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C3=C(C4=CC=CC=C4N3C(=O)CCS)CC(C(=O)O)N)C=CC(=C2)Br

InChI

InChI=1S/C23H23BrN2O3S/c24-14-6-8-15-13(11-14)5-7-17(15)22-18(12-19(25)23(28)29)16-3-1-2-4-20(16)26(22)21(27)9-10-30/h1-4,6,8,11,17,19,30H,5,7,9-10,12,25H2,(H,28,29)