CAS 1416792-90-9 appears in our catalog under these names: vc–PABC–DM1, vc-PABC-DM1, 99.63%, vc-PABC-DM1, 99%. Offered by: GLPBio, MedChemExpress, Chemat. Available pack sizes: 1mg, 10mM (in 1ml dmso), 5 mg, 10mM/1mL, 1 mg, 10 mg.
[(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methylsulfanyl]propanoyl-methylamino]propanoate (CAS 1416792-90-9) is a chemical compound with the molecular formula C53H75ClN8O13S and a molecular weight of 1099.7 g/mol. IUPAC name: [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methylsulfanyl]propanoyl-methylamino]propanoate. InChIKey: VPFJBLCYMSCFKX-QGIKLSNQSA-N.
| Molecular formula | C53H75ClN8O13S |
|---|---|
| Molecular weight | 1099.7 g/mol |
| IUPAC name | [(1S,2R,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[3-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methylsulfanyl]propanoyl-methylamino]propanoate |
| InChIKey | VPFJBLCYMSCFKX-QGIKLSNQSA-N |
| SMILES | C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCSCC5=CC=C(C=C5)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)N)C)\C)OC)(NC(=O)O2)O |
Computed by PubChem (NCBI)