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

Systemtic Name: 3-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]pentanedioic acid Openeye Name: 3-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]pentanedioic acid CAS Name: 3-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]pentanedioic acid IUPAC Name: 3-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]pentanedioic acid Traditional Name: 3-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]glutaric acid Formula: C27H24BrN3O5 MolecularWeight: 550.40056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=N)N)C4=CC(=CC(=C4O)Br)C(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=N)N)C4=CC(=CC(=C4O)Br)C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C27H24BrN3O5/c28-21-11-16(17(12-23(32)33)13-24(34)35)10-20(26(21)36)25-19(8-14-4-2-1-3-5-14)18-9-15(27(29)30)6-7-22(18)31-25/h1-7,9-11,17,31,36H,8,12-13H2,(H3,29,30)(H,32,33)(H,34,35)