2-[[6-[(2E)-2-[(2-oxidanidylperoxysulfanylphenyl)methylidene]hydrazinyl]pyridin-3-yl]carbonylamino]-2-[6-[(5-oxidanylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]hexanoylamino]ethanoic acid

Systemtic Name: 2-[[6-[(2E)-2-[(2-oxidanidylperoxysulfanylphenyl)methylidene]hydrazinyl]pyridin-3-yl]carbonylamino]-2-[6-[(5-oxidanylidene-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]hexanoylamino]ethanoic acid Openeye Name: 2-[6-(5-allyl-1-oxo-tetralin-6-yl)oxyhexanoylamino]-2-[[6-[(2E)-2-[(2-oxidoperoxysulfanylphenyl)methylene]hydrazino]pyridine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[6-[(2E)-2-[[2-(oxidodioxythio)phenyl]methylidene]hydrazinyl]-3-pyridinyl]-oxomethyl]amino]-2-[[1-oxo-6-[(5-oxo-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]hexyl]amino]acetic acid IUPAC Name: 2-[[6-[(2E)-2-[(2-oxidoperoxysulfanylphenyl)methylidene]hydrazinyl]pyridine-3-carbonyl]amino]-2-[6-[(5-oxo-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]hexanoylamino]acetic acid Traditional Name: 2-[6-(5-allyl-1-keto-tetralin-6-yl)oxyhexanoylamino]-2-[[6-[(N'E)-N'-[2-(oxidoperoxythio)benzylidene]hydrazino]nicotinoyl]amino]acetic acid Formula: C34H36N5O9S- MolecularWeight: 690.74274

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC2=C1CCCC2=O)OCCCCCC(=O)NC(C(=O)O)NC(=O)C3=CN=C(C=C3)NN=CC4=CC=CC=C4SOO[O-]

Isomeric SMILES

C=CCC1=C(C=CC2=C1CCCC2=O)OCCCCCC(=O)NC(C(=O)O)NC(=O)C3=CN=C(C=C3)N/N=C/C4=CC=CC=C4SOO[O-]

InChI

InChI=1S/C34H37N5O9S/c1-2-9-26-24-11-8-12-27(40)25(24)16-17-28(26)46-19-7-3-4-14-31(41)37-32(34(43)44)38-33(42)23-15-18-30(35-20-23)39-36-21-22-10-5-6-13-29(22)49-48-47-45/h2,5-6,10,13,15-18,20-21,32,45H,1,3-4,7-9,11-12,14,19H2,(H,35,39)(H,37,41)(H,38,42)(H,43,44)/p-1/b36-21+