MC-Sq-Cit-PAB-Dolastatin10

Catalog No. :
ACYNWH798
CAS No. :
1941168-65-5
Molecular Formula :
C70H105N12O12S+
Molecular Weight :
1338.75

IUPAC Name:(S)-N-(4-((S)-2-(1-((5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl)carbamoyl)cyclobutane-1-carboxamido)-5-ureidopentanamido)benzyl)-1-(((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-2-methyl-3-oxo-3-(((S)-2-phenyl-1-(thiazol-2-yl)ethyl)amino)propyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-N,N,3-trimethyl-1-oxobutan-2-aminium

MC-Sq-Cit-PAB-Dolastatin10 structure diagram
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Product Information

Product NameMC-Sq-Cit-PAB-Dolastatin10
IUPAC Name(S)-N-(4-((S)-2-(1-((5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pentyl)carbamoyl)cyclobutane-1-carboxamido)-5-ureidopentanamido)benzyl)-1-(((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-2-methyl-3-oxo-3-(((S)-2-phenyl-1-(thiazol-2-yl)ethyl)amino)propyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-N,N,3-trimethyl-1-oxobutan-2-aminium
Molecular FormulaC70H105N12O12S+
Molecular Weight1338.75
SMILESC[N+](CC1=CC=C(C=C1)NC([C@H](CCCNC(N)=O)NC(C2(CCC2)C(NCCCCCN3C(C=CC3=O)=O)=O)=O)=O)(C)[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N(C)[C@H]([C@@H](CC(N4[C@@H](CCC4)[C@@H]([C@H](C(N[C@@H](CC5=CC=CC=C5)C6=NC=CS6)=O)C)OC)=O)OC)[C@H](CC)C)=O)=O
InChI KeyQRUVDEDARGSTNP-OGGKWGLUSA-O
SynonymMC-Sq-Cit-PAB-Dolastatin10
CAS No.1941168-65-5

Synthetic Route by SureRoute

1. ACYNWH798 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  3. reactant_2 route compound structure diagram
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  5. ACYNWH798 route product structure diagram
    ACYNWH7981941168-65-5
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2. ACYNWH798 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACYNWH798 route product structure diagram
    ACYNWH7981941168-65-5
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