phenethyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: phenethyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: phenethyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid phenethyl ester IUPAC Name: phenethyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid phenethyl ester Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OCCC3=CC=CC=C3)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OCCC3=CC=CC=C3)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O3/c1-32-23-12-11-21(17-22(23)31-26(32)20-9-7-19(8-10-20)25(28)29)27(34)30-15-13-24(33)35-16-14-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H3,28,29)(H,30,34)