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

Systemtic Name: 5-[[1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzoic acid Openeye Name: 5-[[1-(4-aminobutylcarbamoyl)-3-methyl-butyl]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]benzoic acid CAS Name: 5-[[[1-(4-aminobutylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]benzoic acid IUPAC Name: 5-[[1-(4-aminobutylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[1-(4-aminobutylcarbamoyl)-3-methyl-butyl]carbamoyl]benzoic acid Formula: C32H39N7O6 MolecularWeight: 617.69536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCCN)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)NCCCCN)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/C32H39N7O6/c1-18(2)16-25(30(41)36-15-5-4-14-33)38-29(40)20-8-11-22(24(17-20)32(43)44)23-12-13-26(45-3)39-27(23)31(42)37-21-9-6-19(7-10-21)28(34)35/h6-13,17-18,25H,4-5,14-16,33H2,1-3H3,(H3,34,35)(H,36,41)(H,37,42)(H,38,40)(H,43,44)