Basic information
- CAS
70577-43-4- Standard SMILES
Cc1c(N)nc(C(CC(N)=O)NCC(NS(=O)(=O)c2cccc3cc(N(C)C)ccc23)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2scnc2C(=O)NCCC[S+](C)C)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1- InChIKey
MXONIQQSRZTMNM-UHFFFAOYSA-O- Molecular formula
- C67H95N18O23S4+
- Average molar mass
- 1,648.8 g/mol
- Monoisotopic mass
- 1,647.570031
Names & identifiers
- Preferred name
- Dansylsulfonamido-bleomycin A2
- IUPAC
- 3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[[3-amino-2-[[6-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-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
Names & synonyms
Dansylsulfonamido-bleomycin A270577-43-4N38-((5-(Dimethylamino)-1-naphthalenyl)sulfonyl)-N1-(3-(dimethylsulfonio)propyl)bleomycinamideBleomycinamide, N38-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-N1-(3-(dimethylsulfonio)propyl)-
Database identifiers
- CAS
70577-43-4- PubChem CID
- 153263
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 716 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 34
- Rotatable bonds
- 40
- Heavy atoms
- 112
- Formal charge
- 1
- Complexity
- 3,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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