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

Systemtic Name: 3-azanyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-1-oxidanyl-6-propan-2-ylimino-pyridin-3-yl]benzoic acid Openeye Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-1-hydroxy-6-isopropylimino-3-pyridyl]benzoic acid CAS Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-1-hydroxy-6-propan-2-ylimino-3-pyridinyl]benzoic acid IUPAC Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-1-hydroxy-6-propan-2-yliminopyridin-3-yl]benzoic acid Traditional Name: 3-[2-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-1-hydroxy-6-isopropylimino-3-pyridyl]-5-amino-benzoic acid Formula: C25H28N6O4 MolecularWeight: 476.52762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O4/c1-14(2)30-22-8-7-20(17-9-18(25(33)34)11-19(26)10-17)21(31(22)35)12-23(32)29-13-15-3-5-16(6-4-15)24(27)28/h3-11,14,35H,12-13,26H2,1-2H3,(H3,27,28)(H,29,32)(H,33,34)