[2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-methyl-carbamic acid

Systemtic Name: [2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-methyl-carbamic acid Openeye Name: [2-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-2-methyl-3-oxo-3-pyrrolidin-1-yl-propyl]-methyl-carbamic acid CAS Name: [2-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-2-methyl-3-oxo-3-(1-pyrrolidinyl)propyl]-methylcarbamic acid IUPAC Name: [2-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl]-methylcarbamic acid Traditional Name: [2-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-3-keto-2-methyl-3-pyrrolidino-propyl]-methyl-carbamic acid Formula: C26H33N7O3 MolecularWeight: 491.58532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C(=O)O)(C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

Isomeric SMILES

CC(CN(C)C(=O)O)(C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)C(=O)N4CCCC4

InChI

InChI=1S/C26H33N7O3/c1-26(16-31(2)25(35)36,24(34)33-12-4-5-13-33)18-8-11-21-20(14-18)30-22(32(21)3)15-29-19-9-6-17(7-10-19)23(27)28/h6-11,14,29H,4-5,12-13,15-16H2,1-3H3,(H3,27,28)(H,35,36)