PSMA-Val-Cit-PAB-MMAE

Catalog No. :
ACDDEA973
CAS No. :
2748039-79-2
Molecular Formula :
C114H165ClN20O26
Molecular Weight :
2267.14

IUPAC Name:(3S,7S,25S,28S)-25-benzyl-33-(4-(4-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-4-oxobutyl)-1H-1,2,3-triazol-1-yl)-12-(3-chlorobenzyl)-28-(4-hydroxybenzyl)-5,13,20,23,26,29-hexaoxo-4,6,12,19,24,27,30-heptaazatritriacontane-1,3,7-tricarboxylic acid

PSMA-Val-Cit-PAB-MMAE structure diagram
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Product Information

Product NamePSMA-Val-Cit-PAB-MMAE
IUPAC Name(3S,7S,25S,28S)-25-benzyl-33-(4-(4-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-12-(2-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,6,9-trioxo-2,13-dioxa-4,7,10-triazatetradecyl)phenyl)amino)-1-oxo-5-ureidopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-4-oxobutyl)-1H-1,2,3-triazol-1-yl)-12-(3-chlorobenzyl)-28-(4-hydroxybenzyl)-5,13,20,23,26,29-hexaoxo-4,6,12,19,24,27,30-heptaazatritriacontane-1,3,7-tricarboxylic acid
Molecular FormulaC114H165ClN20O26
Molecular Weight2267.14
SMILESO=C(CC[C@@H](C(O)=O)NC(N[C@H](C(O)=O)CCCCN(CC1=CC=CC(Cl)=C1)C(CCCCCNC(CCC(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CC3=CC=C(O)C=C3)C(NCCCN4N=NC(CCCC(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(NC5=CC=C(COC(N(C)[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(N6[C@H]([C@H](OC)[C@@H](C)C(N[C@H](C)[C@@H](O)C7=CC=CC=C7)=O)CCC6)=O)OC)=O)=O)=O)C=C5)=O)=O)=O)=C4)=O)=O)=O)=O)=O)=O)O
InChI KeyHQGAXUPTPWZFGA-OESYFJANSA-N
SynonymPSMA-Val-Cit-PAB-MMAE
CAS No.2748039-79-2

Synthetic Route by SureRoute

1. ACDDEA973 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACDDEA973 route product structure diagram
    ACDDEA9732748039-79-2
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2. ACDDEA973 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACDDEA973 route product structure diagram
    ACDDEA9732748039-79-2
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