Primary Record
Bacitracin I3
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 177599560
- SMILES
- CC[C@H](C)C(=O)C1=NC(=CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N2[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](C2=O)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4)C(C)C)CCCN)CCCCN
- Canonical SMILES
- CC[C@H](C)C(=O)c1nc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N2C(=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(C)C)NC(=O)[C@@H](CCCN)NC(=O)[C@@H]2CCCCN)C(C)C)cs1
Names & Synonyms
- Bacitracin I3
- J632.088K
- (4R)-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}-4-[(2S)-4-methyl-2-({2-[(2S)-2-methylbutanoyl]-1,3-thiazol-4-yl}formamido)pentanamido]butanoic acid
- N2-[N-[[2-[(S)-2-Methylbutyryl]thiazol-4-yl]carbonyl]-L-Leu-D-Glu-L-Val-]cyclo(L-Lys-D-Orn-L-Val-D-Phe-L-His-D-Asp-L-Asn-)