Primary Record
bacitracin
- In stock
- 8,360 g
- Purity
- 98.8 %
- CAS
- 1405-87-4
Compound Identifiers & Properties
- CAS
- 1405-87-4
- PubChem CID
- 60196264
- 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)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
- 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)N[C@@H]2CCCCNC(=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@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1
Names & Synonyms
- bacitracin
- Bacitracin A
- DSSTox_CID_25355
- RefChem:1050513
- DSSTox_RID_80821
- DSSTox_GSID_45355
- CHEMBL3183126
- DTXSID00858765
- Tox21_110506
- Tox21_113180
- NCGC00016582-01
- NCGC00094594-01
- CAS-1405-87-4
- FT-0622546
- 1405-87-4
- (4S)-4-(((2S)-2-(((4R)-2-((1R,2R)-1-amino-2-methylbutyl)-4,5-dihydro-1,3-thiazole-4-carbonyl)amino)-4-methylpentanoyl)amino)-5-(((2R,3S)-1-(((3R,6R,9R,12R,15R,18R,21R)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-((2R)-butan-2-yl)-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl)amino)-3-methyl-1-oxopentan-2-yl)amino)-5-oxopentanoic acid
- (4S)-4-[[(2S)-2-[[(4R)-2-[(1R,2R)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoyl]amino]-5-[[(2R,3S)-1-[[(3R,6R,9R,12R,15R,18R,21R)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2R)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-5-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclopentacos-21-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
- 22601-59-8
- N-{(4R)-2-[(1R,2R)-1-Amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carbonyl}-L-leucyl-L-alpha-glutamyl-N-{(3R,6R,9R,12R,15R,18R,21R)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2R)-butan-2-yl]-6-(carboxymethyl)-9-[(1H-imidazol-5-yl)methyl]-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl}-D-alloisoleucinamide