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

Systemtic Name: 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[4-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]-5-[(1-methoxycarbonyl-2-methyl-propyl)carbamoyl]benzoic acid CAS Name: 2-[4-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-5-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[4-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-5-[(1-carbomethoxy-2-methyl-propyl)carbamoyl]benzoic acid Formula: C27H27N5O6 MolecularWeight: 517.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)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(=O)OC)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/C27H27N5O6/c1-14(2)22(27(37)38-3)32-24(33)16-6-9-18(20(12-16)26(35)36)21-13-30-11-10-19(21)25(34)31-17-7-4-15(5-8-17)23(28)29/h4-14,22H,1-3H3,(H3,28,29)(H,31,34)(H,32,33)(H,35,36)