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

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-(2-hydroxyphenyl)propanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-(2-hydroxyphenyl)propanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-(2-hydroxyphenyl)propanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-(2-hydroxyphenyl)propanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-(2-hydroxyphenyl)propionic acid Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c21-20(22)12-5-7-13(8-6-12)23-17(26)9-10-18(27)24-15(11-19(28)29)14-3-1-2-4-16(14)25/h1-8,15,25H,9-11H2,(H3,21,22)(H,23,26)(H,24,27)(H,28,29)