2-[3-[2-[[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonylamino]ethanoyl]-2-(carboxymethyloxy)phenoxy]ethanoic acid

Systemtic Name: 2-[3-[2-[[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonylamino]ethanoyl]-2-(carboxymethyloxy)phenoxy]ethanoic acid Openeye Name: 2-[2-(carboxymethyloxy)-3-[2-[[4-(guanidinomethyl)cyclohexanecarbonyl]amino]acetyl]phenoxy]acetic acid CAS Name: 2-[2-(carboxymethyloxy)-3-[2-[[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethyl]amino]-1-oxoethyl]phenoxy]acetic acid IUPAC Name: 2-[2-(carboxymethyloxy)-3-[2-[[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]amino]acetyl]phenoxy]acetic acid Traditional Name: 2-[2-(carboxymethyloxy)-3-[2-[[4-(guanidinomethyl)cyclohexanecarbonyl]amino]acetyl]phenoxy]acetic acid Formula: C21H28N4O8 MolecularWeight: 464.46902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)NCC(=O)C2=C(C(=CC=C2)OCC(=O)O)OCC(=O)O

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)NCC(=O)C2=C(C(=CC=C2)OCC(=O)O)OCC(=O)O

InChI

InChI=1S/C21H28N4O8/c22-21(23)25-8-12-4-6-13(7-5-12)20(31)24-9-15(26)14-2-1-3-16(32-10-17(27)28)19(14)33-11-18(29)30/h1-3,12-13H,4-11H2,(H,24,31)(H,27,28)(H,29,30)(H4,22,23,25)