3-[[1-[(4-carbamimidoylphenyl)methyl]-2-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]-2-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]-2-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[(4-carbamimidoylphenyl)methyl]-2-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]-2-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(4-amidinobenzyl)-2-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=C(C=C3)C(=N)N)C=CC(=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=C(C=C3)C(=N)N)C=CC(=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C20H21N5O3/c1-12-24-16-10-15(20(28)23-9-8-18(26)27)6-7-17(16)25(12)11-13-2-4-14(5-3-13)19(21)22/h2-7,10H,8-9,11H2,1H3,(H3,21,22)(H,23,28)(H,26,27)