1-[2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]azetidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]azetidine-2-carboxylic acid Openeye Name: 1-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]azetidine-2-carboxylic acid CAS Name: 1-[2-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-2-azetidinecarboxylic acid IUPAC Name: 1-[2-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]azetidine-2-carboxylic acid Traditional Name: 1-[1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-2-keto-1-methyl-2-pyrrolidino-ethyl]azetidine-2-carboxylic acid Formula: C27H33N7O3 MolecularWeight: 503.59602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)(C(=O)N4CCCC4)N5CCC5C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C)(C(=O)N4CCCC4)N5CCC5C(=O)O

InChI

InChI=1S/C27H33N7O3/c1-27(26(37)33-12-3-4-13-33,34-14-11-22(34)25(35)36)18-7-10-21-20(15-18)31-23(32(21)2)16-30-19-8-5-17(6-9-19)24(28)29/h5-10,15,22,30H,3-4,11-14,16H2,1-2H3,(H3,28,29)(H,35,36)