3-(aminocarbonylamino)-2-[4-(4-carbamimidoylphenyl)phenoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(aminocarbonylamino)-2-[4-(4-carbamimidoylphenyl)phenoxy]-3-oxidanylidene-propanoic acid Openeye Name: 2-[4-(4-carbamimidoylphenyl)phenoxy]-3-oxo-3-ureido-propanoic acid CAS Name: 2-[4-(4-carbamimidoylphenyl)phenoxy]-3-(carbamoylamino)-3-oxopropanoic acid IUPAC Name: 2-[4-(4-carbamimidoylphenyl)phenoxy]-3-(carbamoylamino)-3-oxopropanoic acid Traditional Name: 2-[4-(4-amidinophenyl)phenoxy]-3-keto-3-ureido-propionic acid Formula: C17H16N4O5 MolecularWeight: 356.33274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)OC(C(=O)NC(=O)N)C(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)OC(C(=O)NC(=O)N)C(=O)O)C(=N)N

InChI

InChI=1S/C17H16N4O5/c18-14(19)11-3-1-9(2-4-11)10-5-7-12(8-6-10)26-13(16(23)24)15(22)21-17(20)25/h1-8,13H,(H3,18,19)(H,23,24)(H3,20,21,22,25)