Products 2126749-75-3
CAS 2126749-75-3 is the registry number for Val-Cit-PABC-Ahx-May (TFA). Offered by: MedChemExpress. Available pack sizes: Get quote.
[(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-[6-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonylamino]hexanoyl-methylamino]propanoate;2,2,2-trifluoroacetic acid (CAS 2126749-75-3) is a chemical compound with the molecular formula C59H83ClF3N9O17 and a molecular weight of 1282.8 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-[6-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonylamino]hexanoyl-methylamino]propanoate;2,2,2-trifluoroacetic acid. InChIKey: GQKXYSZBLIYTQE-COLGJUOLSA-N.
| Molecular formula | C59H83ClF3N9O17 |
|---|---|
| Molecular weight | 1282.8 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-[6-[[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonylamino]hexanoyl-methylamino]propanoate;2,2,2-trifluoroacetic acid |
| InChIKey | GQKXYSZBLIYTQE-COLGJUOLSA-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)CCCCCNC(=O)OCC5=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.C(=O)(C(F)(F)F)O |
Computed by PubChem (NCBI)
Synonyms:
Val-Cit-PABC-Ahx-May TFA