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

Systemtic Name: 3-azanyl-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxidanylidene-ethyl]-4-chloranyl-6-cyclopentylimino-1-oxidanyl-pyridin-3-yl]benzoic acid Openeye Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]-4-chloro-6-cyclopentylimino-1-hydroxy-3-pyridyl]benzoic acid CAS Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-chloro-6-cyclopentylimino-1-hydroxy-3-pyridinyl]benzoic acid IUPAC Name: 3-amino-5-[2-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]-4-chloro-6-cyclopentylimino-1-hydroxypyridin-3-yl]benzoic acid Traditional Name: 3-[2-[2-[(4-amidinobenzyl)amino]-2-keto-ethyl]-4-chloro-6-cyclopentylimino-1-hydroxy-3-pyridyl]-5-amino-benzoic acid Formula: C27H29ClN6O4 MolecularWeight: 537.00996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=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

C1CCC(C1)N=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/C27H29ClN6O4/c28-21-12-23(33-20-3-1-2-4-20)34(38)22(25(21)17-9-18(27(36)37)11-19(29)10-17)13-24(35)32-14-15-5-7-16(8-6-15)26(30)31/h5-12,20,38H,1-4,13-14,29H2,(H3,30,31)(H,32,35)(H,36,37)