Products 1800077-28-4
CAS 1800077-28-4 is the registry number for PTX-SS-COOH, 98.75%. Offered by: MedChemExpress. Available pack sizes: 25 mg, 100 mg, 50 mg, 5 mg, 10 mg.
3-[[3-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-3-oxopropyl]disulfanyl]propanoic acid (CAS 1800077-28-4) is a chemical compound with the molecular formula C53H59NO17S2 and a molecular weight of 1046.2 g/mol. IUPAC name: 3-[[3-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-3-oxopropyl]disulfanyl]propanoic acid. InChIKey: NZHCFPWYUVHLIP-FLVDSFBWSA-N.
| Molecular formula | C53H59NO17S2 |
|---|---|
| Molecular weight | 1046.2 g/mol |
| IUPAC name | 3-[[3-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-3-oxopropyl]disulfanyl]propanoic acid |
| InChIKey | NZHCFPWYUVHLIP-FLVDSFBWSA-N |
| SMILES | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCSSCCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
Computed by PubChem (NCBI)
Synonyms:
PTX-SS-COOH, orb3177871