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

Systemtic Name: 2-[[[4-[(4-carbamimidoylphenyl)-phenyl-amino]-4-oxidanylidene-butanoyl]amino]methyl]-2-(1H-imidazol-2-yl)butanoate Openeye Name: 2-[[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxo-butanoyl]amino]methyl]-2-(1H-imidazol-2-yl)butanoate CAS Name: 2-[[[4-(N-(4-carbamimidoylphenyl)anilino)-1,4-dioxobutyl]amino]methyl]-2-(1H-imidazol-2-yl)butanoate IUPAC Name: 2-[[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxobutanoyl]amino]methyl]-2-(1H-imidazol-2-yl)butanoate Traditional Name: 2-[[[4-(N-(4-amidinophenyl)anilino)-4-keto-butanoyl]amino]methyl]-2-(1H-imidazol-2-yl)butyrate Formula: C25H27N6O4- MolecularWeight: 475.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)C(=N)N)(C3=NC=CN3)C(=O)[O-]

Isomeric SMILES

CCC(CNC(=O)CCC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)C(=N)N)(C3=NC=CN3)C(=O)[O-]

InChI

InChI=1S/C25H28N6O4/c1-2-25(24(34)35,23-28-14-15-29-23)16-30-20(32)12-13-21(33)31(18-6-4-3-5-7-18)19-10-8-17(9-11-19)22(26)27/h3-11,14-15H,2,12-13,16H2,1H3,(H3,26,27)(H,28,29)(H,30,32)(H,34,35)/p-1