2D 3D
	ID	DDInter161
	Drug Type	small molecule
	Molecular Formula	C66H103N17O16S
	Molecular Weight	1422.693
	CAS Number	1405-87-4
	Description	Bacitracin is a combination of at least 9 bacitracins.[A955,A181952] 60-80% of commercially prepared bacitracin is bacitracin A.[A181952] The bacillus that produces bacitracin was first isolated from a knee scrape in 1945 from the knee wound of a child named Margaret Tracy.[A181952] Bacitracin was granted FDA approval on 29 July 1948.[A181997,L7748]
	ATC Classification	J01XX10 D06AX05 R02AB04
IUPAC Name	(4R)-4-[(2S)-2-{[(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl]formamido}-4-methylpentanamido]-4-{[(1S,2S)-1-{[(3S,6R,9S,12R,15S,18R,21S)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-3-(carbamoylmethyl)-6-(carboxymethyl)-9-[(1H-imidazol-4-yl)methyl]-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]carbamoyl}-2-methylbutyl]carbamoyl}butanoic acid
InChI	CLKOFPXJLQSYAH-ABRJDSQDSA-N
Canonical SMILES	CC[C@H](C)[C@H](N)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)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC
Useful Links	DrugBank ChEBI PubChem Substance KEGG Compound KEGG Drug ChemSpider PharmGKB Therapeutic Targets Database Wikipedia ChEMBL