Account (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
- Catalog No. :
- ACOTRN206
- CAS No. :
- 1203586-72-4
- Molecular Formula :
- C48H73N13O17S3
- Molecular Weight :
- 1200.39
IUPAC Name:(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
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD27937774 |
| Molecular Formula | C48H73N13O17S3 |
| Molecular Weight | 1200.39 |
| SMILES | CSCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CNC1=O |
| InChI Key | JLBMMJHZUYBFGX-ZHTCEXBHSA-N |
| Synonym | CYCLOTRAXIN B;L-Cysteine, L-cysteinyl-L-asparaginyl-L-prolyl-L-methionylglycyl-L-tyrosyl-L-threonyl-L-lysyl-L-α-glutamylglycyl-, cyclic (1→11)-disulfide;Cyclotraxin-B trifluoroacetate salt |
| CAS No. | 1203586-72-4 |
Synthetic Route by SureRoute
2. ACOTRN206 Molecular Building Block Synthetic Route
(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,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-carbonyl)-L-tyrosine--acetic acid (1/1)
((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-carbonyl)-L-tyrosine