2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]-5-[(1-carboxy-2-methyl-propyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-5-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-5-[(1-carboxy-2-methyl-propyl)carbamoyl]benzoic acid Formula: C26H25N5O6 MolecularWeight: 503.5066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O6/c1-13(2)20(26(36)37)31-23(32)15-7-10-17(19(12-15)25(34)35)18-4-3-11-29-21(18)24(33)30-16-8-5-14(6-9-16)22(27)28/h3-13,20H,1-2H3,(H3,27,28)(H,30,33)(H,31,32)(H,34,35)(H,36,37)