2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-propan-2-yloxy-pyridin-3-yl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-propan-2-yloxy-pyridin-3-yl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-isopropoxy-3-pyridyl]-5-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-propan-2-yloxy-3-pyridinyl]-5-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-propan-2-yloxypyridin-3-yl]-5-[(1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-isopropoxy-3-pyridyl]-5-[(2,2-dimethyl-1-methylol-propyl)carbamoyl]benzoic acid Formula: C30H35N5O6 MolecularWeight: 561.6288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(CO)C(C)(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)OC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(CO)C(C)(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C30H35N5O6/c1-16(2)41-24-13-12-21(25(35-24)28(38)33-19-9-6-17(7-10-19)26(31)32)20-11-8-18(14-22(20)29(39)40)27(37)34-23(15-36)30(3,4)5/h6-14,16,23,36H,15H2,1-5H3,(H3,31,32)(H,33,38)(H,34,37)(H,39,40)