Val-Cit-PABC-Ahx-May

Catalog No. :
ACEVAR277
CAS No. :
2126749-74-2
Molecular Formula :
C57H82ClN9O15
Molecular Weight :
1168.78

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

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

Product NameVal-Cit-PABC-Ahx-May
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
Molecular FormulaC57H82ClN9O15
Molecular Weight1168.78
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
InChI KeyKLTPNJRPYDFXPH-UJDHDVDMSA-N
SynonymVal-Cit-PABC-Ahx-May
CAS No.2126749-74-2

Synthetic Route by SureRoute

1. ACEVAR277 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACEVAR277 route product structure diagram
    ACEVAR2772126749-74-2
Inquiry

2. ACEVAR277 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACEVAR277 route product structure diagram
    ACEVAR2772126749-74-2
Inquiry

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