3-azanyl-5-[2-[2-[(4-carbamimidoyl-2-fluoranyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-chloranyl-6-cyclopropylimino-1-oxidanyl-pyridin-3-yl]-N-(phenylmethyl)benzamide

Systemtic Name: 3-azanyl-5-[2-[2-[(4-carbamimidoyl-2-fluoranyl-phenyl)methylamino]-2-oxidanylidene-ethyl]-4-chloranyl-6-cyclopropylimino-1-oxidanyl-pyridin-3-yl]-N-(phenylmethyl)benzamide Openeye Name: 3-amino-N-benzyl-5-[2-[2-[(4-carbamimidoyl-2-fluoro-phenyl)methylamino]-2-oxo-ethyl]-4-chloro-6-cyclopropylimino-1-hydroxy-3-pyridyl]benzamide CAS Name: 3-amino-5-[2-[2-[(4-carbamimidoyl-2-fluorophenyl)methylamino]-2-oxoethyl]-4-chloro-6-cyclopropylimino-1-hydroxy-3-pyridinyl]-N-(phenylmethyl)benzamide IUPAC Name: 3-amino-N-benzyl-5-[2-[2-[(4-carbamimidoyl-2-fluorophenyl)methylamino]-2-oxoethyl]-4-chloro-6-cyclopropylimino-1-hydroxypyridin-3-yl]benzamide Traditional Name: 3-[2-[2-[(4-amidino-2-fluoro-benzyl)amino]-2-keto-ethyl]-4-chloro-6-cyclopropylimino-1-hydroxy-3-pyridyl]-5-amino-N-benzyl-benzamide Formula: C32H31ClFN7O3 MolecularWeight: 616.085043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N=C2C=C(C(=C(N2O)CC(=O)NCC3=C(C=C(C=C3)C(=N)N)F)C4=CC(=CC(=C4)N)C(=O)NCC5=CC=CC=C5)Cl

Isomeric SMILES

C1CC1N=C2C=C(C(=C(N2O)CC(=O)NCC3=C(C=C(C=C3)C(=N)N)F)C4=CC(=CC(=C4)N)C(=O)NCC5=CC=CC=C5)Cl

InChI

InChI=1S/C32H31ClFN7O3/c33-25-14-28(40-24-8-9-24)41(44)27(15-29(42)38-17-20-7-6-19(31(36)37)13-26(20)34)30(25)21-10-22(12-23(35)11-21)32(43)39-16-18-4-2-1-3-5-18/h1-7,10-14,24,44H,8-9,15-17,35H2,(H3,36,37)(H,38,42)(H,39,43)