2,2',2''-(10-(2-(((S)-1-(((4R,7S,10S,13R,16S,19S)-4-(((R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-13-(4-ureidobenzyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-3-(4-chlorophenyl)-1-oxopropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Catalog No. :
ACUVRK244
CAS No. :
1192362-32-5
Molecular Formula :
C69H93ClN16O19S2
Molecular Weight :
1550.18

IUPAC Name:2,2',2''-(10-(2-(((S)-1-(((4R,7S,10S,13R,16S,19S)-4-(((R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-13-(4-ureidobenzyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-3-(4-chlorophenyl)-1-oxopropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

2,2',2''-(10-(2-(((S)-1-(((4R,7S,10S,13R,16S,19S)-4-(((R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-13-(4-ureidobenzyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-3-(4-chlorophenyl)-1-oxopropan-2-yl)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-(((S)-1-(((4R,7S,10S,13R,16S,19S)-4-(((R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-13-(4-ureidobenzyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-3-(4-chlorophenyl)-1-oxopropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
IUPAC Name2,2',2''-(10-(2-(((S)-1-(((4R,7S,10S,13R,16S,19S)-4-(((R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)carbamoyl)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-13-(4-ureidobenzyl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-3-(4-chlorophenyl)-1-oxopropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
Molecular FormulaC69H93ClN16O19S2
Molecular Weight1550.18
SMILESC[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CC=C(NC(N)=O)C=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](NC(=O)[C@H](CC2=CC=C(Cl)C=C2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](CC2=CC=C(O)C=C2)C(N)=O)NC1=O
InChI KeyKOZHSMBONUANKJ-GPCQATCWSA-N
SynonymDOTA-LM3
CAS No.1192362-32-5

Synthetic Route by SureRoute

1. ACUVRK244 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACUVRK244 route product structure diagram
    ACUVRK2441192362-32-5
Inquiry

2. ACUVRK244 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACUVRK244 route product structure diagram
    ACUVRK2441192362-32-5
Inquiry

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