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

Systemtic Name: 2-[[2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]amino]ethanoic acid Openeye Name: 2-[[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]amino]acetic acid CAS Name: 2-[[2-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]amino]acetic acid IUPAC Name: 2-[[2-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]acetic acid Traditional Name: 2-[[1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-2-keto-1-methyl-2-pyrrolidino-ethyl]amino]acetic acid Formula: C25H31N7O3 MolecularWeight: 477.55874

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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)NCC(=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)NCC(=O)O

InChI

InChI=1S/C25H31N7O3/c1-25(29-15-22(33)34,24(35)32-11-3-4-12-32)17-7-10-20-19(13-17)30-21(31(20)2)14-28-18-8-5-16(6-9-18)23(26)27/h5-10,13,28-29H,3-4,11-12,14-15H2,1-2H3,(H3,26,27)(H,33,34)