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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-(dimethylamino)pyridin-3-yl]-5-[(3,3-dimethyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-(dimethylamino)-3-pyridyl]-5-[[1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-(dimethylamino)-3-pyridinyl]-5-[[(1-hydroxy-3,3-dimethylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-(dimethylamino)pyridin-3-yl]-5-[(1-hydroxy-3,3-dimethylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-(dimethylamino)-3-pyridyl]-5-[(2,2-dimethyl-1-methylol-propyl)carbamoyl]benzoic acid Formula: C29H34N6O5 MolecularWeight: 546.61746

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H34N6O5/c1-29(2,3)22(15-36)33-26(37)17-8-11-19(21(14-17)28(39)40)20-12-13-23(35(4)5)34-24(20)27(38)32-18-9-6-16(7-10-18)25(30)31/h6-14,22,36H,15H2,1-5H3,(H3,30,31)(H,32,38)(H,33,37)(H,39,40)