Account 3,3',3'',3'''-(((((((2R,2'R)-((3,3'-(((5-((((R)-3-(((R)-2-((3,5-Bis(((2-carboxyethyl)thio)methyl)benzyl)thio)-1-carboxyethyl)amino)-2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)-3-oxopropyl)thio)methyl)-1,3-phenylene)bis(methylene))bis(sulfanediyl))bis(propanoyl))bis(azanediyl))bis(2-carboxyethane-2,1-diyl))bis(sulfanediyl))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(methylene))tetrakis(sulfanediyl))tetrapropionic acid
- Catalog No. :
- ACTEQI227
- CAS No. :
- 622368-00-7
- Molecular Formula :
- C78H97N5O24S12
- Molecular Weight :
- 1873.45
IUPAC Name:3,3',3'',3'''-(((((((2R,2'R)-((3,3'-(((5-((((R)-3-(((R)-2-((3,5-bis(((2-carboxyethyl)thio)methyl)benzyl)thio)-1-carboxyethyl)amino)-2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)-3-oxopropyl)thio)methyl)-1,3-phenylene)bis(methylene))bis(sulfanediyl))bis(propanoyl))bis(azanediyl))bis(2-carboxyethane-2,1-diyl))bis(sulfanediyl))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(methylene))tetrakis(sulfanediyl))tetrapropionic acid
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Product Information
| Product Name | 3,3',3'',3'''-(((((((2R,2'R)-((3,3'-(((5-((((R)-3-(((R)-2-((3,5-Bis(((2-carboxyethyl)thio)methyl)benzyl)thio)-1-carboxyethyl)amino)-2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)-3-oxopropyl)thio)methyl)-1,3-phenylene)bis(methylene))bis(sulfanediyl))bis(propanoyl))bis(azanediyl))bis(2-carboxyethane-2,1-diyl))bis(sulfanediyl))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(methylene))tetrakis(sulfanediyl))tetrapropionic acid |
|---|---|
| IUPAC Name | 3,3',3'',3'''-(((((((2R,2'R)-((3,3'-(((5-((((R)-3-(((R)-2-((3,5-bis(((2-carboxyethyl)thio)methyl)benzyl)thio)-1-carboxyethyl)amino)-2-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)-3-oxopropyl)thio)methyl)-1,3-phenylene)bis(methylene))bis(sulfanediyl))bis(propanoyl))bis(azanediyl))bis(2-carboxyethane-2,1-diyl))bis(sulfanediyl))bis(methylene))bis(benzene-5,1,3-triyl))tetrakis(methylene))tetrakis(sulfanediyl))tetrapropionic acid |
| Molecular Formula | C78H97N5O24S12 |
| Molecular Weight | 1873.45 |
| SMILES | O=C(O)CCSCC1=CC(CSCCC(=O)O)=CC(CSC[C@H](NC(=O)CCSCC2=CC(CSCCC(=O)N[C@@H](CSCC3=CC(CSCCC(=O)O)=CC(CSCCC(=O)O)=C3)C(=O)O)=CC(CSC[C@H](NC(=O)CN3C(=O)C=CC3=O)C(=O)N[C@@H](CSCC3=CC(CSCCC(=O)O)=CC(CSCCC(=O)O)=C3)C(=O)O)=C2)C(=O)O)=C1 |
| InChI Key | NDTTWFGLDKLJDU-RLANMGNTSA-N |
| Synonym | (R)-4-(2-acetamido-2-carboxyethylthio)-2-oxobutanoic acid;N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine;L-Cysteine, S-[[3,5-bis[[[3-[[(1R)-2-[[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]thio]-1-carboxyethyl]amino]-3-oxopropyl]thio]methyl]phenyl]methyl]-N-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)acetyl]-L-cysteinyl-S-[[3,5-bis[[(2-carboxyethyl)thio]methyl]phenyl]methyl]- (9CI) |
| CAS No. | 622368-00-7 |
Synthetic Route by SureRoute
2. ACTEQI227 Molecular Building Block Synthetic Route
S-Benzylglutathione
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