Account 2-((2R,5R,8R,11R,14R,17S)-5,17-bis(4-aminobutyl)-8-(3-((diaminomethylene)amino)propyl)-14-(hydroxymethyl)-11-isobutyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl)acetic acid
- Catalog No. :
- ACJNDU960
- CAS No. :
- 1975145-82-4
- Molecular Formula :
- C31H57N11O9
- Molecular Weight :
- 727.86
IUPAC Name:2-((2R,5R,8R,11R,14R,17S)-5,17-bis(4-aminobutyl)-8-(3-((diaminomethylene)amino)propyl)-14-(hydroxymethyl)-11-isobutyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl)acetic acid
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Product Information
| Product Name | 2-((2R,5R,8R,11R,14R,17S)-5,17-bis(4-aminobutyl)-8-(3-((diaminomethylene)amino)propyl)-14-(hydroxymethyl)-11-isobutyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl)acetic acid |
|---|---|
| IUPAC Name | 2-((2R,5R,8R,11R,14R,17S)-5,17-bis(4-aminobutyl)-8-(3-((diaminomethylene)amino)propyl)-14-(hydroxymethyl)-11-isobutyl-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl)acetic acid |
| Molecular Formula | C31H57N11O9 |
| Molecular Weight | 727.86 |
| SMILES | CC(C)C[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC1=O |
| InChI Key | RMLJWJUSXLSCMR-YPEXMJEGSA-N |
| Synonym | BK1361;BK-1361 (BK 1361;cyclo-RLsKDK);Cyclo(L-arginyl-L-leucyl-D-seryl-L-lysyl-L-α-aspartyl-L-lysyl);BK-1361(cyclo(RLsKDK)) |
| CAS No. | 1975145-82-4 |
Synthetic Route by SureRoute
2. ACJNDU960 Molecular Building Block Synthetic Route
((S)-2-((S)-2-((S)-2-amino-5-((diaminomethylene)amino)pentanamido)-5-((diaminomethylene)amino)pentanamido)-5-((diaminomethylene)amino)pentanoyl)-L-aspartyl-L-aspartyl-L-aspartyl-L-seryl-L-aspartyl-L-aspartyl-L-aspartic acid
(2S,5S,11S,14S)-14-Amino-5-(carboxymethyl)-11-(3-((diaminomethylene)amino)propyl)-2-(hydroxymethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazahexadecanedioic acid
(S)-4-(((S)-1-Amino-3-hydroxy-1-oxopropan-2-yl)amino)-3-(2-((S)-2-(2-aminoacetamido)-5-guanidinopentanamido)acetamido)-4-oxobutanoic acid