Chemical Compound

Bacitracin B2

Bacitracin B2 chemical structure
Primary Record

Bacitracin B2

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177486177
SMILES
CC[C@H](C)[C@@H](C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C2=O)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4)C(C)C)CCCN)CCCCN)N
Canonical SMILES
CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCN)NC(=O)[C@@H]2CCCCN)[C@@H](C)CC)CS1

Names & Synonyms

  • Bacitracin B2
  • J632.084H
  • (4R)-4-[(2S)-2-{[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(2S,3S)-1-[(2S,5R,8S,11R,14S,17R,20S)-2-(4-aminobutyl)-5-(3-aminopropyl)-11-benzyl-20-(carbamoylmethyl)-17-(carboxymethyl)-14-[(1H-imidazol-4-yl)methyl]-3,6,9,12,15,18,21-heptaoxo-8-(propan-2-yl)-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}butanoic acid
  • N2-[N-[[[(4R)-4,5-Dihydro-2-[(1S,2S)-1-amino-2-methylbutyl]thiazol]-4-yl]carbonyl]-L-Leu-D-Glu-L-Ile-]cyclo(L-Lys-D-Orn-L-Val-D-Phe-L-His-D-Asp-L-Asn-)