4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-N1-(3,3-dimethylbutan-2-yl)-N3-oxidanyl-benzene-1,3-dicarboxamide

Systemtic Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-N1-(3,3-dimethylbutan-2-yl)-N3-oxidanyl-benzene-1,3-dicarboxamide Openeye Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-(hydroxycarbamoyl)-N-(1,2,2-trimethylpropyl)benzamide CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-N1-(3,3-dimethylbutan-2-yl)-N3-hydroxybenzene-1,3-dicarboxamide IUPAC Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-1-N-(3,3-dimethylbutan-2-yl)-3-N-hydroxybenzene-1,3-dicarboxamide Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]phenyl]-3-(hydroxycarbamoyl)-N-(1,2,2-trimethylpropyl)benzamide Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)NO

Isomeric SMILES

CC(C(C)(C)C)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)NO

InChI

InChI=1S/C28H31N5O4/c1-16(28(2,3)4)31-25(34)18-11-14-21(23(15-18)27(36)33-37)20-7-5-6-8-22(20)26(35)32-19-12-9-17(10-13-19)24(29)30/h5-16,37H,1-4H3,(H3,29,30)(H,31,34)(H,32,35)(H,33,36)