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

Systemtic Name: 2-[2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propoxy]ethanoic acid Openeye Name: 2-[2-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-2-methyl-3-oxo-3-pyrrolidin-1-yl-propoxy]acetic acid CAS Name: 2-[2-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-2-methyl-3-oxo-3-(1-pyrrolidinyl)propoxy]acetic acid IUPAC Name: 2-[2-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-2-methyl-3-oxo-3-pyrrolidin-1-ylpropoxy]acetic acid Traditional Name: 2-[2-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-3-keto-2-methyl-3-pyrrolidino-propoxy]acetic acid Formula: C26H32N6O4 MolecularWeight: 492.57008

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC(=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(COCC(=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/C26H32N6O4/c1-26(16-36-15-23(33)34,25(35)32-11-3-4-12-32)18-7-10-21-20(13-18)30-22(31(21)2)14-29-19-8-5-17(6-9-19)24(27)28/h5-10,13,29H,3-4,11-12,14-16H2,1-2H3,(H3,27,28)(H,33,34)