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

Systemtic Name: 3-azanyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-chloranyl-6-cyclopropylimino-1-oxidanyl-pyridin-3-yl]benzoic acid Openeye Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-4-chloro-6-cyclopropylimino-1-hydroxy-3-pyridyl]benzoic acid CAS Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-chloro-6-cyclopropylimino-1-hydroxy-3-pyridinyl]benzoic acid IUPAC Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-chloro-6-cyclopropylimino-1-hydroxypyridin-3-yl]benzoic acid Traditional Name: 3-[2-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-4-chloro-6-cyclopropylimino-1-hydroxy-3-pyridyl]-5-amino-benzoic acid Formula: C25H25ClN6O4 MolecularWeight: 508.9568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN6O4/c26-19-10-21(31-18-5-6-18)32(36)20(23(19)15-7-16(25(34)35)9-17(27)8-15)11-22(33)30-12-13-1-3-14(4-2-13)24(28)29/h1-4,7-10,18,36H,5-6,11-12,27H2,(H3,28,29)(H,30,33)(H,34,35)