6'-(((1R,2S,4R,5S,9R)-9-((4-(3-(2-(2-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((1S,2R)-1-carboxy-2-hydroxypropyl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethoxy)ethoxy)ethyl)thioureido)benzyl)oxy)-7-((6-carboxypyridin-2-yl)methyl)-1,5-bis(methoxycarbonyl)-2,4-di(pyridin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl)-[2,2'-bipyridine]-6-carboxylic acid

Catalog No. :
ACMQBL376
CAS No. :
2794143-66-9
Molecular Formula :
C103H117N19O24S3
Molecular Weight :
2101.38

IUPAC Name:6'-(((1R,2S,4R,5S,9r)-9-((4-(3-(2-(2-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((1S,2R)-1-carboxy-2-hydroxypropyl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethoxy)ethoxy)ethyl)thioureido)benzyl)oxy)-7-((6-carboxypyridin-2-yl)methyl)-1,5-bis(methoxycarbonyl)-2,4-di(pyridin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl)-[2,2'-bipyridine]-6-carboxylic acid

6'-(((1R,2S,4R,5S,9R)-9-((4-(3-(2-(2-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((1S,2R)-1-carboxy-2-hydroxypropyl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethoxy)ethoxy)ethyl)thioureido)benzyl)oxy)-7-((6-carboxypyridin-2-yl)methyl)-1,5-bis(methoxycarbonyl)-2,4-di(pyridin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl)-[2,2'-bipyridine]-6-carboxylic acid structure diagram
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Product Information

Product Name6'-(((1R,2S,4R,5S,9R)-9-((4-(3-(2-(2-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((1S,2R)-1-carboxy-2-hydroxypropyl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethoxy)ethoxy)ethyl)thioureido)benzyl)oxy)-7-((6-carboxypyridin-2-yl)methyl)-1,5-bis(methoxycarbonyl)-2,4-di(pyridin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl)-[2,2'-bipyridine]-6-carboxylic acid
IUPAC Name6'-(((1R,2S,4R,5S,9r)-9-((4-(3-(2-(2-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((1S,2R)-1-carboxy-2-hydroxypropyl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethoxy)ethoxy)ethyl)thioureido)benzyl)oxy)-7-((6-carboxypyridin-2-yl)methyl)-1,5-bis(methoxycarbonyl)-2,4-di(pyridin-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl)-[2,2'-bipyridine]-6-carboxylic acid
Molecular FormulaC103H117N19O24S3
Molecular Weight2101.38
SMILESCOC(=O)[C@@]12CN(CC3=NC(C(=O)O)=CC=C3)C[C@@](C(=O)OC)([C@H]1OCC1=CC=C(NC(=S)NCCOCCOCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC4=CNC5=C4C=CC=C5)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC3=O)C=C1)[C@H](C1=NC=CC=C1)N(CC1=CC=CC(C3=NC(C(=O)O)=CC=C3)=N1)[C@@H]2C1=NC=CC=C1
InChI KeyMQXSYXKRBOACPG-WNARPMDWSA-N
SynonymL1-PEG2-TATE
CAS No.2794143-66-9

Synthetic Route by SureRoute

1. ACMQBL376 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACMQBL376 route product structure diagram
    ACMQBL3762794143-66-9
Inquiry

2. ACMQBL376 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACMQBL376 route product structure diagram
    ACMQBL3762794143-66-9
Inquiry

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