2-[5-azanyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[5-azanyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Openeye Name: 2-[5-amino-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[5-amino-2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[5-amino-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-5-amino-phenyl]-5-(neopentylcarbamoyl)benzoic acid Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)N)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)N)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C27H29N5O4/c1-27(2,3)14-31-24(33)16-6-10-19(22(12-16)26(35)36)21-13-17(28)7-11-20(21)25(34)32-18-8-4-15(5-9-18)23(29)30/h4-13H,14,28H2,1-3H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)