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

Systemtic Name: 3-[2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]pyridin-3-yl]propanoic acid Openeye Name: 3-[2-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-pyridyl]propanoic acid CAS Name: 3-[2-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-pyridinyl]propanoic acid IUPAC Name: 3-[2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pyridin-3-yl]propanoic acid Traditional Name: 3-[2-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-pyridyl]propionic acid Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4/c20-18(21)12-3-6-14(7-4-12)23-15(25)8-9-16(26)24-19-13(2-1-11-22-19)5-10-17(27)28/h1-4,6-7,11H,5,8-10H2,(H3,20,21)(H,23,25)(H,27,28)(H,22,24,26)