Account 2,2,2-Trifluoroacetic acid compound with 2-((2S,5R,8S,11S)-8-(4-aminobutyl)-11-(3-guanidinopropyl)-5-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid (2:1)
- Catalog No. :
- ACFQHI124
- CAS No. :
- 250612-42-1
- Molecular Formula :
- C31H43F6N9O12
- Molecular Weight :
- 847.72
IUPAC Name:2,2,2-trifluoroacetic acid--2-((2S,5R,8S,11S)-8-(4-aminobutyl)-11-(3-guanidinopropyl)-5-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid (2/1)
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Product Information
| Product Name | 2,2,2-Trifluoroacetic acid compound with 2-((2S,5R,8S,11S)-8-(4-aminobutyl)-11-(3-guanidinopropyl)-5-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid (2:1) |
|---|---|
| IUPAC Name | 2,2,2-trifluoroacetic acid--2-((2S,5R,8S,11S)-8-(4-aminobutyl)-11-(3-guanidinopropyl)-5-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid (2/1) |
| Molecular Formula | C31H43F6N9O12 |
| Molecular Weight | 847.72 |
| SMILES | O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C[C@@H](C(N[C@H](CC1=CC=C(O)C=C1)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(NC2)=O)=O)=O)=O)NC2=O |
| InChI Key | CDDUWKKOPQABPG-TVSMIREGSA-N |
| Synonym | cyclo(L-arginylglycyl-L-α-aspartyl-D-tyrosyl-L-lysyl),2,2,2-trifluoroacetate (1:2) |
| CAS No. | 250612-42-1 |
| PubChem CID | 129896716 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P260-P264-P270-P273-P280-P301+P312+P330-P304+P312-P305+P351+P338-P314-P337+P313-P391-P501
Synthetic Route by SureRoute
2. ACFQHI124 Molecular Building Block Synthetic Route
2-((2S,5R,8S,11S)-8-(4-Aminobutyl)-5-benzyl-11-(3-guanidinopropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid Trifluoroacetate (1:1)
2-((2S,5R,8S,11S)-8-(4-Aminobutyl)-11-(3-guanidinopropyl)-5-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)acetic acid
Cyclo(Arg-Ala-Asp-(D-Tyr)-Lys)