3-[4-carbamimidoyl-2-[2-[(2-methyl-3H-benzimidazol-5-yl)carbonylamino]ethoxy]phenyl]-2-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-carbamimidoyl-2-[2-[(2-methyl-3H-benzimidazol-5-yl)carbonylamino]ethoxy]phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[4-carbamimidoyl-2-[2-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]ethoxy]phenyl]-2-oxo-propanoic acid CAS Name: 3-[4-carbamimidoyl-2-[2-[[(2-methyl-3H-benzimidazol-5-yl)-oxomethyl]amino]ethoxy]phenyl]-2-oxopropanoic acid IUPAC Name: 3-[4-carbamimidoyl-2-[2-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]ethoxy]phenyl]-2-oxopropanoic acid Traditional Name: 3-[4-amidino-2-[2-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]ethoxy]phenyl]-2-keto-propionic acid Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)C(=O)NCCOC3=C(C=CC(=C3)C(=N)N)CC(=O)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)C(=O)NCCOC3=C(C=CC(=C3)C(=N)N)CC(=O)C(=O)O

InChI

InChI=1S/C21H21N5O5/c1-11-25-15-5-4-14(8-16(15)26-11)20(28)24-6-7-31-18-10-13(19(22)23)3-2-12(18)9-17(27)21(29)30/h2-5,8,10H,6-7,9H2,1H3,(H3,22,23)(H,24,28)(H,25,26)(H,29,30)