Account (6S,12S,15S,18R)-1,1-diamino-6-(2-aminoacetamido)-12-(carboxymethyl)-15-(hydroxymethyl)-18-(mercaptomethyl)-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid--2,2,2-trifluoroacetic acid (1/1)
- Catalog No. :
- ACUPAI039
- CAS No. :
- 91037-71-7
- Molecular Formula :
- C22H36F3N9O12S
- Molecular Weight :
- 707.64
IUPAC Name:(6S,12S,15S,18R)-1,1-diamino-6-(2-aminoacetamido)-12-(carboxymethyl)-15-(hydroxymethyl)-18-(mercaptomethyl)-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid--2,2,2-trifluoroacetic acid (1/1)
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Product Information
| Product Name | (6S,12S,15S,18R)-1,1-diamino-6-(2-aminoacetamido)-12-(carboxymethyl)-15-(hydroxymethyl)-18-(mercaptomethyl)-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid--2,2,2-trifluoroacetic acid (1/1) |
|---|---|
| IUPAC Name | (6S,12S,15S,18R)-1,1-diamino-6-(2-aminoacetamido)-12-(carboxymethyl)-15-(hydroxymethyl)-18-(mercaptomethyl)-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadec-1-en-19-oic acid--2,2,2-trifluoroacetic acid (1/1) |
| Molecular Formula | C22H36F3N9O12S |
| Molecular Weight | 707.64 |
| SMILES | NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O.O=C(O)C(F)(F)F |
| InChI Key | YLJHZAVXBAEVHB-AAQZBYNGSA-N |
| CAS No. | 91037-71-7 |
Synthetic Route by SureRoute
2. ACUPAI039 Molecular Building Block Synthetic Route
(6S,12S,15R)-1,6-Diamino-12-(carboxymethyl)-1-imino-15-(mercaptomethyl)-7,10,13-trioxo-2,8,11,14-tetraazahexadecan-16-oic acid trifluoroacetate
((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
KSDSC