3-azanyl-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-5-(2,2-dimethylhydrazinyl)-1-methyl-4-oxidanylidene-pyridin-2-yl]benzoic acid

Systemtic Name: 3-azanyl-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-5-(2,2-dimethylhydrazinyl)-1-methyl-4-oxidanylidene-pyridin-2-yl]benzoic acid Openeye Name: 3-amino-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-5-(2,2-dimethylhydrazino)-1-methyl-4-oxo-2-pyridyl]benzoic acid CAS Name: 3-amino-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-5-(2,2-dimethylhydrazinyl)-1-methyl-4-oxo-2-pyridinyl]benzoic acid IUPAC Name: 3-amino-5-[3-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-5-(2,2-dimethylhydrazinyl)-1-methyl-4-oxopyridin-2-yl]benzoic acid Traditional Name: 3-[3-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-5-(N',N'-dimethylhydrazino)-4-keto-1-methyl-2-pyridyl]-5-amino-benzoic acid Formula: C25H29N7O4 MolecularWeight: 491.54226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C(=C1C2=CC(=CC(=C2)N)C(=O)O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)NN(C)C

Isomeric SMILES

CN1C=C(C(=O)C(=C1C2=CC(=CC(=C2)N)C(=O)O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)NN(C)C

InChI

InChI=1S/C25H29N7O4/c1-31(2)30-20-13-32(3)22(16-8-17(25(35)36)10-18(26)9-16)19(23(20)34)11-21(33)29-12-14-4-6-15(7-5-14)24(27)28/h4-10,13,30H,11-12,26H2,1-3H3,(H3,27,28)(H,29,33)(H,35,36)