Pneumocandin B2

cas: 138530-80-0 — see every product listed under this CAS number, including other names

Pneumocandin B2 (CAS 138530-80-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas138530-80-0
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Structural formula: {0} (CAS {1})

N-[3-(3-amino-1-hydroxy-3-oxopropyl)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,25-dihydroxy-15-(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 (CAS 138530-80-0) is a chemical compound with the molecular formula C50H80N8O15 and a molecular weight of 1033.2 g/mol. IUPAC name: N-[3-(3-amino-1-hydroxy-3-oxopropyl)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,25-dihydroxy-15-(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. InChIKey: CAUDURDUCQQHDE-UHFFFAOYSA-N.

Identity
Molecular formulaC50H80N8O15
Molecular weight1033.2 g/mol
IUPAC nameN-[3-(3-amino-1-hydroxy-3-oxopropyl)-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,25-dihydroxy-15-(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
InChIKeyCAUDURDUCQQHDE-UHFFFAOYSA-N
SMILESCCC(C)CC(C)CCCCCCCCC(=O)NC1CCCNC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O

Computed by PubChem (NCBI)

Synonyms: orb3023962

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