Primary Record
Pneumocandin B2
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 101122292
- SMILES
- CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1CCCNC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O
- Canonical SMILES
- CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1CCCNC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O
Names & Synonyms
- Pneumocandin B2
- J1.582.241D
- Cyclo[L-Thr-4beta-hydroxy-L-Pro-[(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-Thr-]-[(3R)-3-hydroxy-L-Gln-]-3beta-hydroxy-L-Pro-[N2-(10,12-dimethyl-1-oxotetradecyl)-L-Orn*-]]
- N-[(3S,6S,9S,11R,15S,18S,24S,25S)-3-[(1R)-2-carbamoyl-1-hydroxyethyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,25-dihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide