Account -
- Catalog No. :
- ACIVFA056
- CAS No. :
- 1631160-47-8
- Molecular Formula :
- C76H106N20O18S3
- Molecular Weight :
- 1684.01
IUPAC Name:-
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Product Information
| Product Name | - |
|---|---|
| Molecular Formula | C76H106N20O18S3 |
| Molecular Weight | 1684.01 |
| SMILES | CC(=O)N[C@H]1CSCC2=CC3=CC(=C2)CSC[C@@H](C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CN=CN2)NC[C@H](C)NC(=O)[C@H](CSC3)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H]2CCN2C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC1=O |
| InChI Key | LTTOZAFALSJSEY-GEIPQBTESA-N |
| Synonym | irucalantide;L-Cysteinamide, N-acetyl-S-[[3,5-bis(mercaptomethyl)phenyl]methyl]-L-cysteinyl-L-seryl-L-phenylalanyl-(2S)-2-azetidinecarbonyl-L-tyrosyl-N6-(aminoiminomethyl)-L-lysyl-L-cysteinyl-L-alanyl-ψ(CH2-NH)-L-histidyl-L-glutaminyl-L-α-aspartyl-L-leucyl-, cyclic (1→7),(1→13)-bis(thioether) |
| CAS No. | 1631160-47-8 |
Synthetic Route by SureRoute
2. ACIVFA056 Molecular Building Block Synthetic Route
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(S)-4-((S)-2-((S)-1-(L-seryl-L-alanylglycyl-L-phenylalanyl-L-aspartyl-L-phenylalanyl-L-seryl-L-phenylalanyl-L-leucyl-L-prolyl-L-glutaminyl-L-prolyl)pyrrolidine-2-carboxamido)-5-amino-5-oxopentanamido)-5-(((S)-6-amino-1-(((S)-1-(((S)-1-(((S)-3-carboxy-1-(((7S,10S,13S)-13-(((S)-1-(((S)-1-carboxyethyl)amino)-5-guanidino-1-oxopentan-2-yl)carbamoyl)-7-(3-guanidinopropyl)-10-(4-hydroxybenzyl)-14-(4-hydroxyphenyl)-2,5,8,11-tetraoxo-3,6,9,12-tetraazatetradecyl)amino)-1-oxopropan-2-yl)amino)-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-1-oxohexan-2-yl)amino)-5-oxopentanoic acid