2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3-methylbutanoylamino)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3-methylbutanoylamino)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3-methylbutanoylamino)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(3-methyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3-methylbutanoylamino)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(isovalerylamino)benzoic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H26N4O4/c1-15(2)13-23(31)29-18-11-12-20(22(14-18)26(33)34)19-5-3-4-6-21(19)25(32)30-17-9-7-16(8-10-17)24(27)28/h3-12,14-15H,13H2,1-2H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)