2-[[[4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoyl]amino]methyl]-2-(furan-2-yl)butanoate

Systemtic Name: 2-[[[4-[(4-carbamimidoylphenyl)-methyl-amino]-4-oxidanylidene-butanoyl]amino]methyl]-2-(furan-2-yl)butanoate Openeye Name: 2-[[[4-(4-carbamimidoyl-N-methyl-anilino)-4-oxo-butanoyl]amino]methyl]-2-(2-furyl)butanoate CAS Name: 2-[[[4-(4-carbamimidoyl-N-methylanilino)-1,4-dioxobutyl]amino]methyl]-2-(2-furanyl)butanoate IUPAC Name: 2-[[[4-(4-carbamimidoyl-N-methylanilino)-4-oxobutanoyl]amino]methyl]-2-(furan-2-yl)butanoate Traditional Name: 2-[[[4-(4-amidino-N-methyl-anilino)-4-keto-butanoyl]amino]methyl]-2-(2-furyl)butyrate Formula: C21H25N4O5- MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCC(=O)N(C)C1=CC=C(C=C1)C(=N)N)(C2=CC=CO2)C(=O)[O-]

Isomeric SMILES

CCC(CNC(=O)CCC(=O)N(C)C1=CC=C(C=C1)C(=N)N)(C2=CC=CO2)C(=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-3-21(20(28)29,16-5-4-12-30-16)13-24-17(26)10-11-18(27)25(2)15-8-6-14(7-9-15)19(22)23/h4-9,12H,3,10-11,13H2,1-2H3,(H3,22,23)(H,24,26)(H,28,29)/p-1