2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridyl]-5-[(1-methoxycarbonyl-2-methyl-propyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methyl-3-pyridinyl]-5-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylpyridin-3-yl]-5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-3-pyridyl]-5-[(1-carbomethoxy-2-methyl-propyl)carbamoyl]benzoic acid Formula: C28H29N5O6 MolecularWeight: 531.55976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(C(C)C)C(=O)OC)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(C(C)C)C(=O)OC)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H29N5O6/c1-14(2)22(28(38)39-4)33-25(34)17-8-12-19(21(13-17)27(36)37)20-11-5-15(3)31-23(20)26(35)32-18-9-6-16(7-10-18)24(29)30/h5-14,22H,1-4H3,(H3,29,30)(H,32,35)(H,33,34)(H,36,37)