Products 149598-64-1
CAS 149598-64-1 is the registry number for Pradimicin Tl. Offered by: MedChemExpress. Available pack sizes: Get quote.
2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid (CAS 149598-64-1) is a chemical compound with the molecular formula C42H45NO23 and a molecular weight of 931.8 g/mol. IUPAC name: 2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid. InChIKey: GVEWVQWSVLNZPE-BSAXXBFRSA-N.
| Molecular formula | C42H45NO23 |
|---|---|
| Molecular weight | 931.8 g/mol |
| IUPAC name | 2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid |
| InChIKey | GVEWVQWSVLNZPE-BSAXXBFRSA-N |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NCC(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)O[C@@H]7[C@H]([C@@H]([C@H](CO7)O)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O |
Computed by PubChem (NCBI)