Products 2575682-08-3

CAS 2575682-08-3 appears in our catalog under these names: Mal–Val–Ala–PAB–N(SO2Me)–Exatecan, Mal-Val-Ala-PAB-N(SO2Me)-Exatecan, 99.11%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 5 mg, 10 mg, 1 mg.

Mal–Val–Ala–PAB–N(SO2Me)–Exatecan
GLPBio
  • size: 1mg
  • Variants: 1
from 5099.68
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Mal-Val-Ala-PAB-N(SO2Me)-Exatecan, 99.11%
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg
  • Variants: 3
from 3719.10
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Structural formula: {0} (CAS {1})

[4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[[2-[[(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]amino]-2-oxoethoxy]methyl]-N-(2-methylsulfonylethyl)carbamate (CAS 2575682-08-3) is a chemical compound with the molecular formula C56H65FN8O15S and a molecular weight of 1141.2 g/mol. IUPAC name: [4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[[2-[[(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]amino]-2-oxoethoxy]methyl]-N-(2-methylsulfonylethyl)carbamate. InChIKey: FHSDCZBBSIHLRF-WCBFANADSA-N.

Identity
Molecular formulaC56H65FN8O15S
Molecular weight1141.2 g/mol
IUPAC name[4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[[2-[[(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]amino]-2-oxoethoxy]methyl]-N-(2-methylsulfonylethyl)carbamate
InChIKeyFHSDCZBBSIHLRF-WCBFANADSA-N
SMILESCC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCN(CCS(=O)(=O)C)C(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN8C(=O)C=CC8=O)O

Computed by PubChem (NCBI)

Synonyms: Mal-Val-Ala-PAB-N(SO2Me)-Exatecan, orb2646159