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

Systemtic Name: 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[4-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]-5-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[4-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-5-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-[(1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[4-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-5-[(2,2-dimethyl-1-methylol-propyl)carbamoyl]benzoic acid Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O5/c1-27(2,3)22(14-33)32-24(34)16-6-9-18(20(12-16)26(36)37)21-13-30-11-10-19(21)25(35)31-17-7-4-15(5-8-17)23(28)29/h4-13,22,33H,14H2,1-3H3,(H3,28,29)(H,31,35)(H,32,34)(H,36,37)