3-[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[6-acetamido-2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1C(=O)NCCC(=O)O)N=C(N2C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1C(=O)NCCC(=O)O)N=C(N2C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N6O4/c1-11(28)25-15-10-17-16(9-14(15)21(31)24-8-7-18(29)30)26-20(27(17)2)13-5-3-12(4-6-13)19(22)23/h3-6,9-10H,7-8H2,1-2H3,(H3,22,23)(H,24,31)(H,25,28)(H,29,30)