2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-Amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Catalog No. :
ACCVWE144
CAS No. :
2581741-18-4
Molecular Formula :
C67H99N13O18S3
Molecular Weight :
1470.80

IUPAC Name:2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-Amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid structure diagram
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Product Information

Product Name2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-Amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
IUPAC Name2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
Molecular FormulaC67H99N13O18S3
Molecular Weight1470.80
SMILESO=C1[C@]2(N(C(=O)[C@@H](NC(CCCCC)=O)CSCC=3C=C(C=C(CSCCNC(CN4CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC4)=O)C3)CSC[C@@H](C(O)=O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@]6(N1CCC6)[H])[H])CCC2)[H]
InChI KeyUHKLVUPDBJFFBB-ZCDGVBLYSA-N
SynonymL-Cysteine, S-[[3-(mercaptomethyl)-5-[[[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]amino]ethyl]thio]methyl]phenyl]methyl]-N-(1-oxohexyl)-L-cysteinyl-L-prolyl-L-prolyl-L-threonyl-L-glutaminyl-L-phenylalanyl-, cyclic (1→7)-thioether;FAPI-2286;FAP-2286,FAP2286;2,2',2''-(10-(2-((2-((((12S,32S,5R,13R,16S,19S,22S)-19-(3-Amino-3-oxopropyl)-16-benzyl-13-carboxy-5-hexanamido-22-((R)-1-hydroxyethyl)-2,4,15,18,21,24-hexaoxo-7,11-dithia-14,17,20,23-tetraaza-1(1,2),3(2,1)-dipyrrolidina-9(1,3)-benzenacyclotetracosaphane-95-yl)methyl)thio)ethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid;Rofapitide tetraxetan
CAS No.2581741-18-4

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302-H315-H319
Precautionary Statement(s)
P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

1. ACCVWE144 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACCVWE144 route product structure diagram
    ACCVWE1442581741-18-4 In Stock
Inquiry

2. ACCVWE144 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACCVWE144 route product structure diagram
    ACCVWE1442581741-18-4 In Stock
Inquiry

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