3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-(3-ethylfuran-2-yl)propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-(3-ethylfuran-2-yl)propanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-2-(3-ethyl-2-furyl)propanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-2-(3-ethyl-2-furanyl)propanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-2-(3-ethylfuran-2-yl)propanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-2-(3-ethyl-2-furyl)propionic acid Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC=C1)C(CNC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CCC1=C(OC=C1)C(CNC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C20H24N4O5/c1-2-12-9-10-29-18(12)15(20(27)28)11-23-16(25)7-8-17(26)24-14-5-3-13(4-6-14)19(21)22/h3-6,9-10,15H,2,7-8,11H2,1H3,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)