2-[[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-(1H-imidazol-2-yl)methyl]-3-methyl-butanoate

Systemtic Name: 2-[[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-(1H-imidazol-2-yl)methyl]-3-methyl-butanoate Openeye Name: 2-[[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-(1H-imidazol-2-yl)methyl]-3-methyl-butanoate CAS Name: 2-[[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-(1H-imidazol-2-yl)methyl]-3-methylbutanoate IUPAC Name: 2-[[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-(1H-imidazol-2-yl)methyl]-3-methylbutanoate Traditional Name: 2-[[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-(1H-imidazol-2-yl)methyl]-3-methyl-butyrate Formula: C20H25N6O4- MolecularWeight: 413.4503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=NC=CN1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)[O-]

Isomeric SMILES

CC(C)C(C(C1=NC=CN1)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)[O-]

InChI

InChI=1S/C20H26N6O4/c1-11(2)16(20(29)30)17(19-23-9-10-24-19)26-15(28)8-7-14(27)25-13-5-3-12(4-6-13)18(21)22/h3-6,9-11,16-17H,7-8H2,1-2H3,(H3,21,22)(H,23,24)(H,25,27)(H,26,28)(H,29,30)/p-1