5-[(1-azanyl-4,4-dimethyl-pentan-3-yl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzoic acid

Systemtic Name: 5-[(1-azanyl-4,4-dimethyl-pentan-3-yl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzoic acid Openeye Name: 5-[[1-(2-aminoethyl)-2,2-dimethyl-propyl]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]benzoic acid CAS Name: 5-[[(1-amino-4,4-dimethylpentan-3-yl)amino]-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]benzoic acid IUPAC Name: 5-[(1-amino-4,4-dimethylpentan-3-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-(2-aminoethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid Formula: C29H34N6O5 MolecularWeight: 546.61746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CCN)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)(C)C(CCN)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/C29H34N6O5/c1-29(2,3)22(13-14-30)34-26(36)17-7-10-19(21(15-17)28(38)39)20-11-12-23(40-4)35-24(20)27(37)33-18-8-5-16(6-9-18)25(31)32/h5-12,15,22H,13-14,30H2,1-4H3,(H3,31,32)(H,33,37)(H,34,36)(H,38,39)