2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]ethanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methyl-1-imidazolyl]-1-oxoethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5-methylimidazol-1-yl]acetyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[4-(6-amidino-1H-benzimidazol-2-yl)-5-methyl-imidazol-1-yl]acetyl]amino]-3-hydroxy-propionic acid Formula: C17H19N7O4 MolecularWeight: 385.37726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O4/c1-8-14(16-22-10-3-2-9(15(18)19)4-11(10)23-16)20-7-24(8)5-13(26)21-12(6-25)17(27)28/h2-4,7,12,25H,5-6H2,1H3,(H3,18,19)(H,21,26)(H,22,23)(H,27,28)