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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[[1-(2-hydroxyethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[1-(2-hydroxyethylcarbamoyl)-3-methyl-butyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[1-(2-hydroxyethylcarbamoyl)-3-methyl-butyl]carbamoyl]benzoic acid Formula: C30H34N6O7 MolecularWeight: 590.62696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N6O7/c1-16(2)14-23(28(39)33-12-13-37)35-27(38)18-6-9-20(22(15-18)30(41)42)21-10-11-24(43-3)36-25(21)29(40)34-19-7-4-17(5-8-19)26(31)32/h4-11,15-16,23,37H,12-14H2,1-3H3,(H3,31,32)(H,33,39)(H,34,40)(H,35,38)(H,41,42)