3-azanyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-chloranyl-1-oxidanyl-6-propan-2-ylimino-pyridin-3-yl]benzoic acid

Systemtic Name: 3-azanyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-chloranyl-1-oxidanyl-6-propan-2-ylimino-pyridin-3-yl]benzoic acid Openeye Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-4-chloro-1-hydroxy-6-isopropylimino-3-pyridyl]benzoic acid CAS Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-chloro-1-hydroxy-6-propan-2-ylimino-3-pyridinyl]benzoic acid IUPAC Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-chloro-1-hydroxy-6-propan-2-yliminopyridin-3-yl]benzoic acid Traditional Name: 3-[2-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-4-chloro-1-hydroxy-6-isopropylimino-3-pyridyl]-5-amino-benzoic acid Formula: C25H27ClN6O4 MolecularWeight: 510.97268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=C(C(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)C(=O)O)Cl

Isomeric SMILES

CC(C)N=C1C=C(C(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)C(=O)O)Cl

InChI

InChI=1S/C25H27ClN6O4/c1-13(2)31-21-10-19(26)23(16-7-17(25(34)35)9-18(27)8-16)20(32(21)36)11-22(33)30-12-14-3-5-15(6-4-14)24(28)29/h3-10,13,36H,11-12,27H2,1-2H3,(H3,28,29)(H,30,33)(H,34,35)