2-[4-azanyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid

Systemtic Name: 2-[4-azanyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid Openeye Name: 2-[4-amino-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(1,2,2-trimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[4-amino-2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(3,3-dimethylbutan-2-ylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[4-amino-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-amino-phenyl]-5-(1,2,2-trimethylpropylcarbamoyl)benzoic acid 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=C(C=C(C=C2)N)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O4/c1-15(28(2,3)4)32-25(34)17-7-11-21(23(13-17)27(36)37)20-12-8-18(29)14-22(20)26(35)33-19-9-5-16(6-10-19)24(30)31/h5-15H,29H2,1-4H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)