3-acridin-9-yl-2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-acridin-9-yl-2-[[2-(5-bromanyl-2,3-dihydro-1H-inden-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 3-acridin-9-yl-2-[[2-(5-bromoindan-1-yl)-3-sulfanyl-propanoyl]amino]propanoic acid CAS Name: 3-(9-acridinyl)-2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-mercapto-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-acridin-9-yl-2-[[2-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanoyl]amino]propanoic acid Traditional Name: 3-acridin-9-yl-2-[[2-(5-bromoindan-1-yl)-3-mercapto-propanoyl]amino]propionic acid Formula: C28H25BrN2O3S MolecularWeight: 549.4787

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(CS)C(=O)NC(CC3=C4C=CC=CC4=NC5=CC=CC=C53)C(=O)O)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C(C1C(CS)C(=O)NC(CC3=C4C=CC=CC4=NC5=CC=CC=C53)C(=O)O)C=CC(=C2)Br

InChI

InChI=1S/C28H25BrN2O3S/c29-17-10-12-18-16(13-17)9-11-19(18)23(15-35)27(32)31-26(28(33)34)14-22-20-5-1-3-7-24(20)30-25-8-4-2-6-21(22)25/h1-8,10,12-13,19,23,26,35H,9,11,14-15H2,(H,31,32)(H,33,34)