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2-[3H-benzimidazol-5-yloxycarbonyl(phenyl)amino]-3-(4-carbamimidoylphenoxy)propanoic acid

2-[3H-benzimidazol-5-yloxycarbonyl(phenyl)amino]-3-(4-carbamimidoylphenoxy)propanoic acid

Systemtic Name:2-[3H-benzimidazol-5-yloxycarbonyl(phenyl)amino]-3-(4-carbamimidoylphenoxy)propanoic acid
Openeye Name:2-[N-(3H-benzimidazol-5-yloxycarbonyl)anilino]-3-(4-carbamimidoylphenoxy)propanoic acid
CAS Name:2-(N-[3H-benzimidazol-5-yloxy(oxo)methyl]anilino)-3-(4-carbamimidoylphenoxy)propanoic acid
IUPAC Name:2-[N-(3H-benzimidazol-5-yloxycarbonyl)anilino]-3-(4-carbamimidoylphenoxy)propanoic acid
Traditional Name:3-(4-amidinophenoxy)-2-[N-(3H-benzimidazol-5-yloxycarbonyl)anilino]propionic acid
Formula: C24H21N5O5
MolecularWeight: 459.45404
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(COC2=CC=C(C=C2)C(=N)N)C(=O)O)C(=O)OC3=CC4=C(C=C3)N=CN4


Isomeric SMILES

C1=CC=C(C=C1)N(C(COC2=CC=C(C=C2)C(=N)N)C(=O)O)C(=O)OC3=CC4=C(C=C3)N=CN4


InChI

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


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