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

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(furan-2-yl)propanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-(2-furyl)propanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-(2-furanyl)propanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-(furan-2-yl)propanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-(2-furyl)propionic acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=COC(=C1)C(CC(=O)O)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H20N4O5/c19-18(20)11-3-5-12(6-4-11)21-15(23)7-8-16(24)22-13(10-17(25)26)14-2-1-9-27-14/h1-6,9,13H,7-8,10H2,(H3,19,20)(H,21,23)(H,22,24)(H,25,26)