Products 2928571-45-1

CAS 2928571-45-1 appears in our catalog under these names: Val–Ala–PABC–Exatecan trifluoroacetate, Val-Ala-PABC-Exatecan (trifluoroacetate), 98.39%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 10mg, 5mg, 100 mg, 5 mg, 10 mg, 25 mg, 50 mg.

Structural formula: {0} (CAS {1})

[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate;2,2,2-trifluoroacetic acid (CAS 2928571-45-1) is a chemical compound with the molecular formula C42H44F4N6O10 and a molecular weight of 868.8 g/mol. IUPAC name: [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate;2,2,2-trifluoroacetic acid. InChIKey: BEGBTWTZTSSNHK-TYUAWROFSA-N.

Identity
Molecular formulaC42H44F4N6O10
Molecular weight868.8 g/mol
IUPAC name[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate;2,2,2-trifluoroacetic acid
InChIKeyBEGBTWTZTSSNHK-TYUAWROFSA-N
SMILESCC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)N)O.C(=O)(C(F)(F)F)O

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