Caspofungin Impurity 13

cas: 314080-31-4 — see every product listed under this CAS number, including other names

Caspofungin Impurity 13 (CAS 314080-31-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULPC155018
cas314080-31-4
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(2S,4R)-N-[(2S,3R)-1-[(2S,4R)-2-[[(2S,3S,4S)-1-[[(2S,3R)-5-amino-1-[(2S,3S)-2-carbamoyl-3-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxopentan-2-yl]amino]-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-1-[(10R,12S)-10,12-dimethyltetradecanoyl]-4,5-dihydroxypyrrolidine-2-carboxamide (CAS 314080-31-4) is a chemical compound with the molecular formula C50H82N8O16 and a molecular weight of 1051.2 g/mol. IUPAC name: (2S,4R)-N-[(2S,3R)-1-[(2S,4R)-2-[[(2S,3S,4S)-1-[[(2S,3R)-5-amino-1-[(2S,3S)-2-carbamoyl-3-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxopentan-2-yl]amino]-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-1-[(10R,12S)-10,12-dimethyltetradecanoyl]-4,5-dihydroxypyrrolidine-2-carboxamide. InChIKey: UWUIBWNWWAICHW-YORXCANGSA-N.

Identity
Molecular formulaC50H82N8O16
Molecular weight1051.2 g/mol
IUPAC name(2S,4R)-N-[(2S,3R)-1-[(2S,4R)-2-[[(2S,3S,4S)-1-[[(2S,3R)-5-amino-1-[(2S,3S)-2-carbamoyl-3-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxopentan-2-yl]amino]-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-1-[(10R,12S)-10,12-dimethyltetradecanoyl]-4,5-dihydroxypyrrolidine-2-carboxamide
InChIKeyUWUIBWNWWAICHW-YORXCANGSA-N
SMILESCC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N1[C@@H](C[C@H](C1O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H]([C@@H]([C@H](C3=CC=C(C=C3)O)O)O)C(=O)N[C@@H]([C@@H](CCN)O)C(=O)N4CC[C@@H]([C@H]4C(=O)N)O)O

Computed by PubChem (NCBI)