F — Antiviral & Anti-infective

Pneumocandin B0

肺念菌素B0

Product Code: F-01

Caspofungin

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Specification

Product Code F-01
CAS No. 135575-42-7
Chemical Name (EN) Pneumocandin B0
化学名称 (中文) 肺念菌素B0
Molecular Formula C₅₀H₈₀N₈O₁₇
Molecular Weight (g/mol) 1065.2
IUPAC Name (10R,12S)-N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
Canonical SMILES CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=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)O)O
InChI Key DQXPFAADCTZLNL-FXDJFZINSA-N
PubChem CID 16119739
Chiral Configuration
ee Requirement
Terminal API Caspofungin
Therapeutic Area
Application Notes
Category F — Antiviral & Anti-infective
Pneumocandin B0 2D structure

2D/3D structure via PubChem

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