Primary Record
Circulin B
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 177556861
- SMILES
- CC[C@H](C)[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NCCC(C(=O)N[C@H](C(=O)NC(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)C)[C@@H](C)O)CCN)CCN
- Canonical SMILES
- CC[C@H](C)[C@@H]1NC(=O)C(CC(C)C)NC(=O)[C@H](CCN)NC(=O)C(NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)C(CCN)NC1=O
Names & Synonyms
- Circulin B
- J952.052J
- 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-methylheptanamide
- N2-(6-Methyl-1-oxoheptyl-L-A2bu-L-Thr-L-A2bu-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Ile-L-A2bu-L-A2bu-L-Thr-)
- N2-[N2-(6-Methylheptanoyl)-L-A2bu-L-Thr-L-A2bu-]cyclo(L-A2bu*-L-A2bu-D-Leu-L-Ile-L-A2bu-L-A2bu-L-Thr-)