2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]-2-methyl-propanoic acid Openeye Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]-2-methyl-propanoic acid CAS Name: 2-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]-2-methylpropanoic acid IUPAC Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]-2-methylpropanoic acid Traditional Name: 2-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]-2-methyl-propionic acid Formula: C26H24BrN3O3 MolecularWeight: 506.39106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC4=CC=CC=C4)O)Br)C(=O)O

Isomeric SMILES

CC(C)(C1=CC(=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC4=CC=CC=C4)O)Br)C(=O)O

InChI

InChI=1S/C26H24BrN3O3/c1-26(2,25(32)33)16-12-19(23(31)20(27)13-16)22-18(10-14-6-4-3-5-7-14)17-11-15(24(28)29)8-9-21(17)30-22/h3-9,11-13,30-31H,10H2,1-2H3,(H3,28,29)(H,32,33)