ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl-pyrrolidin-1-ylcarbonyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]methyl-pyrrolidin-1-ylcarbonyl-amino]propanoate Openeye Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl-(pyrrolidine-1-carbonyl)amino]propanoate CAS Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]methyl-[oxo(1-pyrrolidinyl)methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]methyl-(pyrrolidine-1-carbonyl)amino]propanoate Traditional Name: 3-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]methyl-(pyrrolidine-1-carbonyl)amino]propionic acid ethyl ester Formula: C27H35N7O3 MolecularWeight: 505.6119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)CCN(CC1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

InChI

InChI=1S/C27H35N7O3/c1-3-37-25(35)12-15-34(27(36)33-13-4-5-14-33)18-19-6-11-23-22(16-19)31-24(32(23)2)17-30-21-9-7-20(8-10-21)26(28)29/h6-11,16,30H,3-5,12-15,17-18H2,1-2H3,(H3,28,29)