Chemical Compound

Bleomycin B4

CAS Registry Number 9060-11-1
Bleomycin B4 chemical structure
Primary Record

Bleomycin B4

In stock
7,866 g
Purity
98.9 %
CAS
9060-11-1

Compound Identifiers & Properties

CAS
9060-11-1
PubChem CID
10351582
SMILES
CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCCNC(=NCCCCN=C(N)N)N)O
Canonical 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)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCCNC(N)=NCCCCN=C(N)N)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(N)=O)[C@@H]1O)c1cnc[nH]1

Names & Synonyms

  • Bleomycin B4
  • CID10351582
  • CID 10351582
  • (2R,3S,4S,5R,6R)-2-(((2R,3S,4S,5S,6S)-2-((1R,2S)-2-(6-amino-2-((S)-3-amino-1-(((S)-2,3-diamino-3-oxopropyl)amino)-3-oxopropyl)-5-methylpyrimidine-4-carboxamido)-3-(((2R,3S,4S)-5-(((2S,3R)-1-((2-(4-((4-(3-(4-guanidinobutyl)guanidino)butyl)carbamoyl)-[2,4'-bithiazol]-2'-yl)ethyl)amino)-3-hydroxy-1-oxobutan-2-yl)amino)-3-hydroxy-4-methyl-5-oxopentan-2-yl)amino)-1-(1H-imidazol-4-yl)-3-oxopropoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl carbamate
  • 9060-11-1