5-[bis(azanyl)methylideneamino]-2-[2-[[2-[(2,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[2-[[2-[(2,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl]oxy]ethanoylamino]pentanoic acid Openeye Name: 2-[[2-[2-[(2,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetyl]amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[2-[[2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranyl]oxy]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[2-[[2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetyl]amino]pentanoic acid Traditional Name: 2-[[2-[2-(2,4-dimethoxybenzylidene)-3-keto-coumaran-6-yl]oxyacetyl]amino]-5-guanidino-valeric acid Formula: C25H28N4O8 MolecularWeight: 512.51182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CCCN=C(N)N)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC(=O)NC(CCCN=C(N)N)C(=O)O)OC

InChI

InChI=1S/C25H28N4O8/c1-34-15-6-5-14(19(11-15)35-2)10-21-23(31)17-8-7-16(12-20(17)37-21)36-13-22(30)29-18(24(32)33)4-3-9-28-25(26)27/h5-8,10-12,18H,3-4,9,13H2,1-2H3,(H,29,30)(H,32,33)(H4,26,27,28)