Chemical Compound

Bacitracin E

Bacitracin E chemical structure
Primary Record

Bacitracin E

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177426291
SMILES
CC(C)C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1[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](C1=O)CC(=O)N)CC(=O)O)CC2=CN=CN2)CC3=CC=CC=C3)C(C)C)CCCN)CCCCN)NC(=O)[C@@H]4CSC(=N4)[C@H](C(C)C)N
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@@H]1CSC([C@@H](N)C(C)C)=N1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCN)NC(=O)[C@@H]1CCCCN)C(C)C

Names & Synonyms

  • Bacitracin E
  • J632.079A
  • (4R)-4-[(2S)-2-{[(4R)-2-[(1S)-1-amino-2-methylpropyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(2S)-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-oxobutan-2-yl]carbamoyl}butanoic acid
  • N2-[N-[[[(4R)-2-[(S)-1-Amino-2-methylpropyl]-4,5-dihydrothiazol]-4-yl]carbonyl]-L-Leu-D-Glu-L-Val-]cyclo(L-Lys-D-Orn-L-Val-D-Phe-L-His-D-Asp-L-Asn-)