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Cobalt(4), bis(N1-(3-(dimethylsulfonio)propyl)bleomycinamidato-N25,N32,N36,N38,N46)(mu-(peroxy-O:O'))di-

HCID 129010949
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
79873-73-7
Standard SMILES
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)NOONC(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O[C@@H](c4cnc[nH]4)[C@H](NC(=O)c4nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc(N)c4C)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)NC(C(=O)NCCc4nc(-c5nc(C(=O)NCCC[S+](C)C)cs5)cs4)[C@@H](C)O)O[C@@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@@H]1O)c1cnc[nH]1.[Co+2].[Co+2]
On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
InChIKey
KKIIZQBKGAVVGT-NZNXXPGHSA-P
Molecular formula
C110H166Co2N34O44S6+6
Average molar mass
2,979 g/mol
Monoisotopic mass
2,976.878529

Names & identifiers

Preferred name
Cobalt(4), bis(N1-(3-(dimethylsulfonio)propyl)bleomycinamidato-N25,N32,N36,N38,N46)(mu-(peroxy-O:O'))di-
IUPAC
3-[[2-[2-[2-[[(3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-[[[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-5-[[(3R)-1-[2-[4-[4-(3-dimethylsulfoniopropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxycarbonylamino]peroxycarbamoyloxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;bis(cobalt(2+))

Names & synonyms

79873-73-7Cobalt(4 ), bis(N1-(3-(dimethylsulfonio)propyl)bleomycinamidato-N25,N32,N36,N38,N46)(mu-(peroxy-O:O'))di-

Database identifiers

CAS
79873-73-7
PubChem CID
129010949

Properties

Computed structural properties

Topological polar surface area
1,360 Ų
Hydrogen bond donors
40
Hydrogen bond acceptors
64
Rotatable bonds
75
Heavy atoms
196
Formal charge
6
Complexity
5,570

Related reactions

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Compound notes

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