(2S)-2-[3-(2-aminophenyl)-5-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-oxidanyl-phenyl]butanedioic acid

Systemtic Name: (2S)-2-[3-(2-aminophenyl)-5-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-oxidanyl-phenyl]butanedioic acid Openeye Name: (2S)-2-[3-(2-aminophenyl)-5-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-phenyl]butanedioic acid CAS Name: (2S)-2-[3-(2-aminophenyl)-5-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxyphenyl]butanedioic acid IUPAC Name: (2S)-2-[3-(2-aminophenyl)-5-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxyphenyl]butanedioic acid Traditional Name: (2S)-2-[3-(5-amidino-2H-benzimidazol-2-yl)-5-(2-aminophenyl)-4-hydroxy-phenyl]succinic acid Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)C(CC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=CC(=C2O)C3N=C4C=CC(=CC4=N3)C(=N)N)[C@H](CC(=O)O)C(=O)O)N

InChI

InChI=1S/C24H21N5O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,23,32H,10,25H2,(H3,26,27)(H,30,31)(H,33,34)/t14-,23?/m0/s1