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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H21N5O3/c1-2-11-26-17-8-7-15(21(29)24-10-9-18(27)28)12-16(17)25-20(26)14-5-3-13(4-6-14)19(22)23/h2-8,12H,1,9-11H2,(H3,22,23)(H,24,29)(H,27,28)