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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-cyclopropyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-cyclopropyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-cyclopropyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-cyclopropylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-cyclopropyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C21H21N5O3/c22-19(23)12-1-3-13(4-2-12)20-25-16-11-14(21(29)24-10-9-18(27)28)5-8-17(16)26(20)15-6-7-15/h1-5,8,11,15H,6-7,9-10H2,(H3,22,23)(H,24,29)(H,27,28)