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

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

Systemtic Name:(2R)-2-[3-bromanyl-5-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-oxidanyl-phenyl]butanedioic acid
Openeye Name:(2R)-2-[3-bromo-5-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxy-phenyl]butanedioic acid
CAS Name:(2R)-2-[3-bromo-5-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxyphenyl]butanedioic acid
IUPAC Name:(2R)-2-[3-bromo-5-(5-carbamimidoyl-2H-benzimidazol-2-yl)-4-hydroxyphenyl]butanedioic acid
Traditional Name:(2R)-2-[3-(5-amidino-2H-benzimidazol-2-yl)-5-bromo-4-hydroxy-phenyl]succinic acid
Formula: C18H15BrN4O5
MolecularWeight: 447.2395
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(N=C2C=C1C(=N)N)C3=CC(=CC(=C3O)Br)C(CC(=O)O)C(=O)O


Isomeric SMILES

C1=CC2=NC(N=C2C=C1C(=N)N)C3=CC(=CC(=C3O)Br)[C@@H](CC(=O)O)C(=O)O


InChI

InChI=1S/C18H15BrN4O5/c19-11-4-8(9(18(27)28)6-14(24)25)3-10(15(11)26)17-22-12-2-1-7(16(20)21)5-13(12)23-17/h1-5,9,17,26H,6H2,(H3,20,21)(H,24,25)(H,27,28)/t9-,17?/m1/s1


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