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

Systemtic Name: 2-(2-oxidanylidenepyrrolidin-1-yl)ethyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: 2-(2-oxopyrrolidin-1-yl)ethyl 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 2-(2-oxo-1-pyrrolidinyl)ethyl ester IUPAC Name: 2-(2-oxopyrrolidin-1-yl)ethyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid 2-(2-ketopyrrolidino)ethyl ester Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OCCN3CCCC3=O)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OCCN3CCCC3=O)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H28N6O4/c1-30-20-9-8-18(15-19(20)29-24(30)17-6-4-16(5-7-17)23(26)27)25(34)28-11-10-22(33)35-14-13-31-12-2-3-21(31)32/h4-9,15H,2-3,10-14H2,1H3,(H3,26,27)(H,28,34)