3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoyloxy]butanoic acid

Systemtic Name: 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]ethanoyloxy]butanoic acid Openeye Name: 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]oxybutanoic acid CAS Name: 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]-1-oxoethoxy]butanoic acid IUPAC Name: 3-[2-[6-carbamimidoyl-2-(4-carbamimidoylphenyl)-1H-indol-3-yl]acetyl]oxybutanoic acid Traditional Name: 3-[2-[6-amidino-2-(4-amidinophenyl)-1H-indol-3-yl]acetyl]oxybutyric acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)OC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(CC(=O)O)OC(=O)CC1=C(NC2=C1C=CC(=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N5O4/c1-11(8-18(28)29)31-19(30)10-16-15-7-6-14(22(25)26)9-17(15)27-20(16)12-2-4-13(5-3-12)21(23)24/h2-7,9,11,27H,8,10H2,1H3,(H3,23,24)(H3,25,26)(H,28,29)