Chemical Compound

BACITRACIN J1

CAS Registry Number 1301601-36-4
BACITRACIN J1 chemical structure
Primary Record

BACITRACIN J1

In stock
9,299 g
Purity
98.2 %
CAS
1301601-36-4

Compound Identifiers & Properties

CAS
1301601-36-4
PubChem CID
171390001
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H]([C@@H](C)CC=C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSC(=N2)[C@H]([C@@H](C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4
Canonical SMILES
C=CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSC([C@@H](N)[C@@H](C)CC)=N1)C(=O)N[C@H]1CCCCNC(=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@@H](C)CC)NC(=O)[C@@H](CCCN)NC1=O

Names & Synonyms

  • BACITRACIN J1
  • Bacitracin EP Impurity O
  • H52QY5CA69
  • BACITRACIN IMPURITY O [EP IMPURITY]
  • 1301601-36-4
  • L-ASPARAGINE, N-(((4R)-2-((1S,2S)-1-AMINO-2-METHYLBUTYL)-4,5-DIHYDRO-4-THIAZOLYL)CARBONYL)-L-LEUCYL-D-.ALPHA.-GLUTAMYL-(3S)-5,6-DIDEHYDRO-3-METHYL-L-NORLEUCYL-L-LYSYL-D-ORNITHYL-L-ISOLEUCYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-, (10->4)-LACTAM