2-[3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-but-2-ynoyl]amino]pyridin-2-yl]propanoic acid

Systemtic Name: 2-[3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-but-2-ynoyl]amino]pyridin-2-yl]propanoic acid Openeye Name: 2-[3-[[4-(4-carbamimidoylanilino)-4-oxo-but-2-ynoyl]amino]-2-pyridyl]propanoic acid CAS Name: 2-[3-[[4-(4-carbamimidoylanilino)-1,4-dioxobut-2-ynyl]amino]-2-pyridinyl]propanoic acid IUPAC Name: 2-[3-[[4-(4-carbamimidoylanilino)-4-oxobut-2-ynoyl]amino]pyridin-2-yl]propanoic acid Traditional Name: 2-[3-[[4-(4-amidinoanilino)-4-keto-but-2-ynoyl]amino]-2-pyridyl]propionic acid Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=N1)NC(=O)C#CC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC(C1=C(C=CC=N1)NC(=O)C#CC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C19H17N5O4/c1-11(19(27)28)17-14(3-2-10-22-17)24-16(26)9-8-15(25)23-13-6-4-12(5-7-13)18(20)21/h2-7,10-11H,1H3,(H3,20,21)(H,23,25)(H,24,26)(H,27,28)