Products 314080-31-4
CAS 314080-31-4 is the registry number for Caspofungin Impurity 13. Offered by: Chemat Brand. Available pack sizes: on request.
(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.
| Molecular formula | C50H82N8O16 |
|---|---|
| Molecular weight | 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 |
| SMILES | CC[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)