Chemical Compound

Deamido bleomycin A2

CAS Registry Number 65154-36-1
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Deamido bleomycin A2 chemical structure
Primary Record

Deamido bleomycin A2

In stock
8,838 g
Purity
98.9 %
CAS
65154-36-1

Compound Identifiers & Properties

CAS
65154-36-1
PubChem CID
5488286
SMILES
CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)O)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3[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)NC(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)NCCC[S+](C)C)O
Canonical SMILES
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(=O)O)nc1C(=O)N[C@H](C(=O)NC(C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](OC1O[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

  • Deamido bleomycin A2
  • Isononyl formate
  • AC1NUQEI
  • C55H83N16O22S3
  • CID5488286
  • C55-H83-N16-O22-S3
  • 65154-36-1
  • 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S)-4-[[(2S,3R)-2-[[6-Amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-2-carboxyethyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-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
  • 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2-amino-3-hydroxy-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-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