Account MK 0852
- Catalog No. :
- ACDTDI623
- CAS No. :
- 138199-64-1
- Molecular Formula :
- C34H47N9O12S3
- Molecular Weight :
- 870.00
IUPAC Name:(6S,9R,14R,17S,23S,25aR)-9-acetamido-6-(2-amino-2-oxoethyl)-23-(4-(aminomethyl)benzyl)-17-(carboxymethyl)-1,1-dimethyl-5,8,16,19,22,25-hexaoxoicosahydro-1H,3H-thiazolo[4,3-p][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosine-14-carboxylic acid
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Product Information
| Product Name | MK 0852 |
|---|---|
| IUPAC Name | (6S,9R,14R,17S,23S,25aR)-9-acetamido-6-(2-amino-2-oxoethyl)-23-(4-(aminomethyl)benzyl)-17-(carboxymethyl)-1,1-dimethyl-5,8,16,19,22,25-hexaoxoicosahydro-1H,3H-thiazolo[4,3-p][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosine-14-carboxylic acid |
| Molecular Formula | C34H47N9O12S3 |
| Molecular Weight | 870.00 |
| SMILES | CC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC2=CC=C(CN)C=C2)NC(=O)[C@H]2N(CSC2(C)C)C(=O)[C@H](CC(N)=O)NC1=O |
| InChI Key | IHTQUFFCUYSOIH-SBTHHMAGSA-N |
| Synonym | MK 0852;L-367073;L-Cysteine, N-acetyl-L-cysteinyl-L-asparaginyl-(4R)-5,5-dimethyl-4-thiazolidinecarbonyl-4-(aminomethyl)-L-phenylalanylglycyl-L-α-aspartyl-, cyclic (1→7)-disulfide (9CI) |
| CAS No. | 138199-64-1 |
Synthetic Route by SureRoute
2. ACDTDI623 Molecular Building Block Synthetic Route
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(3S,6R,9S,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-((R)-1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-19H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28]tetrathia[5,8,11,14,17,20,23,32,35,38,41]undecaazacyclotritetracontine-15-carboxylic acid
(3S,9S,12S,15S,18S,24R,29R,32S,37aS)-29-amino-32-(2-amino-2-oxoethyl)-15-(4-aminobutyl)-18-(2-carboxyethyl)-9-(4-hydroxybenzyl)-12-((R)-1-hydroxyethyl)-3-(2-(methylthio)ethyl)-1,4,7,10,13,16,19,22,30,33-decaoxotetratriacontahydro-1H-pyrrolo[2,1-b1][1,2]dithia[5,8,11,14,17,20,23,26,29,32]decaazacyclopentatriacontine-24-carboxylic acid