2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]butanedioic acid

Systemtic Name: 2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]butanedioic acid Openeye Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]butanedioic acid CAS Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-1-imidazolyl]-1-oxoethyl]amino]butanedioic acid IUPAC Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methylimidazol-1-yl]acetyl]amino]butanedioic acid Traditional Name: 2-[[2-[4-(6-amidino-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]succinic acid Formula: C18H19N7O5 MolecularWeight: 413.38736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1CC(=O)NC(CC(=O)O)C(=O)O)C2=NC3=C(N2)C=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(N=CN1CC(=O)NC(CC(=O)O)C(=O)O)C2=NC3=C(N2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C18H19N7O5/c1-8-15(17-23-10-3-2-9(16(19)20)4-11(10)24-17)21-7-25(8)6-13(26)22-12(18(29)30)5-14(27)28/h2-4,7,12H,5-6H2,1H3,(H3,19,20)(H,22,26)(H,23,24)(H,27,28)(H,29,30)