Chemical Compound

Circulin A

Circulin A chemical structure
Primary Record

Circulin A

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177630774
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N[C@@H](C(=O)N1)CC(C)C)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)CC)[C@@H](C)O)CCN)CCN
Canonical SMILES
CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)NC1CCNC(=O)C([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)C(CCN)NC1=O)[C@@H](C)O

Names & Synonyms

  • Circulin A
  • Isoleucinepolymyxin E1
  • J67.629B
  • N-[(1S)-3-amino-1-{[(1S,2R)-1-{[(1S)-3-amino-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-12-[(2S)-butan-2-yl]-3-[(1R)-1-hydroxyethyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}propyl]-6-methyloctanamide
  • N2-(6-Methyl-1-oxooctyl-L-A2bu-L-Thr-L-A2bu-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Ile-L-A2bu-L-A2bu-L-Thr-)
  • N2-(6-Methyloctanoyl-L-A2bu-L-Thr-L-A2bu-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Ile-L-A2bu-L-A2bu-L-Thr-)