methyl 4-[3H-benzimidazol-5-yloxycarbonyl(phenyl)amino]-5-[(4-carbamimidoylphenyl)amino]pentanoate

Systemtic Name: methyl 4-[3H-benzimidazol-5-yloxycarbonyl(phenyl)amino]-5-[(4-carbamimidoylphenyl)amino]pentanoate Openeye Name: methyl 4-[N-(3H-benzimidazol-5-yloxycarbonyl)anilino]-5-(4-carbamimidoylanilino)pentanoate CAS Name: 4-(N-[3H-benzimidazol-5-yloxy(oxo)methyl]anilino)-5-(4-carbamimidoylanilino)pentanoic acid methyl ester IUPAC Name: methyl 4-[N-(3H-benzimidazol-5-yloxycarbonyl)anilino]-5-(4-carbamimidoylanilino)pentanoate Traditional Name: 5-(4-amidinoanilino)-4-[N-(3H-benzimidazol-5-yloxycarbonyl)anilino]valeric acid methyl ester Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CNC1=CC=C(C=C1)C(=N)N)N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)N=CN4

Isomeric SMILES

COC(=O)CCC(CNC1=CC=C(C=C1)C(=N)N)N(C2=CC=CC=C2)C(=O)OC3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C27H28N6O4/c1-36-25(34)14-11-21(16-30-19-9-7-18(8-10-19)26(28)29)33(20-5-3-2-4-6-20)27(35)37-22-12-13-23-24(15-22)32-17-31-23/h2-10,12-13,15,17,21,30H,11,14,16H2,1H3,(H3,28,29)(H,31,32)