3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]hex-5-enoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]hex-5-enoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]hex-5-enoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-5-hexenoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]hex-5-enoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]hex-5-enoic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

C=CCC(CC(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C17H22N4O4/c1-2-3-13(10-16(24)25)21-15(23)9-8-14(22)20-12-6-4-11(5-7-12)17(18)19/h2,4-7,13H,1,3,8-10H2,(H3,18,19)(H,20,22)(H,21,23)(H,24,25)