(2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-(1,10-phenanthrolin-3-ylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-1-oxidanylidene-3-(1,10-phenanthrolin-3-ylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate Openeye Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-oxo-1-(1,10-phenanthrolin-3-ylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(1,10-phenanthrolin-3-ylthio)propan-2-yl]amino]-5-oxopentanoic acid; 2-(2-pyridinyl)pyridine; ruthenium(2+); dihexafluorophosphate IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(1,10-phenanthrolin-3-ylsulfanyl)propan-2-yl]amino]-5-oxopentanoic acid; 2-pyridin-2-ylpyridine; ruthenium(2+); dihexafluorophosphate Traditional Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-2-keto-1-[(1,10-phenanthrolin-3-ylthio)methyl]ethyl]amino]-5-keto-valeric acid; 2-(2-pyridyl)pyridine; ruthenium(2+); dihexafluorophosphate Formula: C42H39F12N9O6P2RuS MolecularWeight: 1188.87912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC2=C(C3=NC=C(C=C3C=C2)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC2=C(C3=NC=C(C=C3C=C2)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)N=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C22H23N5O6S.2C10H8N2.2F6P.Ru/c23-15(22(32)33)5-6-17(28)27-16(21(31)26-10-18(29)30)11-34-14-8-13-4-3-12-2-1-7-24-19(12)20(13)25-9-14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-7(2,3,4,5)6;/h1-4,7-9,15-16H,5-6,10-11,23H2,(H,26,31)(H,27,28)(H,29,30)(H,32,33);2*1-8H;;;/q;;;2*-1;+2/t15-,16-;;;;;/m0...../s1