Val-Cit-PABC-Ahx-May TFA

Catalog No. :
ACEJVN794
CAS No. :
2126749-75-3
Molecular Formula :
C59H83ClF3N9O17
Molecular Weight :
1282.81

IUPAC Name:(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(6-((((4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)carbonyl)amino)hexanoyl)-N-methyl-L-alaninate 2,2,2-trifluoroacetate

Val-Cit-PABC-Ahx-May TFA structure diagram
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Product Information

Product NameVal-Cit-PABC-Ahx-May TFA
IUPAC Name(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-(6-((((4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl)oxy)carbonyl)amino)hexanoyl)-N-methyl-L-alaninate 2,2,2-trifluoroacetate
Molecular FormulaC59H83ClF3N9O17
Molecular Weight1282.81
SMILESCOC1=C(Cl)C2=CC(=C1)C/C(C)=C/C=C/[C@@H](OC)[C@@]1(O)C[C@H](OC(=O)N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCCCNC(=O)OCC1=CC=C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)C(C)C)C=C1)CC(=O)N2C.O=C(O)C(F)(F)F
InChI KeyGQKXYSZBLIYTQE-FWTFXSNLSA-N
SynonymVal-Cit-PABC-Ahx-May TFA
CAS No.2126749-75-3

Synthetic Route by SureRoute

1. ACEJVN794 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACEJVN794 route product structure diagram
    ACEJVN7942126749-75-3
Inquiry

2. ACEJVN794 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACEJVN794 route product structure diagram
    ACEJVN7942126749-75-3
Inquiry

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