Account (5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidazol-5-yl)methyl)-32-amino-17,20-dibenzyl-5-carbamoyl-23-(carboxymethyl)-8-isobutyl-14-isopropyl-29-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31-nonaoxo-2-thia-6,9,12,15,18,21,24,27,30-nonaazatetratriacontan-34-oic acid--2,2,2-trifluoroacetic acid (1/2)
- Catalog No. :
- ACYWAE802
- CAS No. :
- 101536-55-4
- Molecular Formula :
- C59H81F6N13O18S2
- Molecular Weight :
- 1438.49
IUPAC Name:(5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidazol-5-yl)methyl)-32-amino-17,20-dibenzyl-5-carbamoyl-23-(carboxymethyl)-8-isobutyl-14-isopropyl-29-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31-nonaoxo-2-thia-6,9,12,15,18,21,24,27,30-nonaazatetratriacontan-34-oic acid--2,2,2-trifluoroacetic acid (1/2)
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Product Information
| Product Name | (5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidazol-5-yl)methyl)-32-amino-17,20-dibenzyl-5-carbamoyl-23-(carboxymethyl)-8-isobutyl-14-isopropyl-29-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31-nonaoxo-2-thia-6,9,12,15,18,21,24,27,30-nonaazatetratriacontan-34-oic acid--2,2,2-trifluoroacetic acid (1/2) |
|---|---|
| IUPAC Name | (5S,8S,14S,17S,20S,23S,26S,29S,32S)-26-((1H-imidazol-5-yl)methyl)-32-amino-17,20-dibenzyl-5-carbamoyl-23-(carboxymethyl)-8-isobutyl-14-isopropyl-29-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31-nonaoxo-2-thia-6,9,12,15,18,21,24,27,30-nonaazatetratriacontan-34-oic acid--2,2,2-trifluoroacetic acid (1/2) |
| Molecular Formula | C59H81F6N13O18S2 |
| Molecular Weight | 1438.49 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F |
| InChI Key | DNRDWNMILBSVKQ-LZFAISSQSA-N |
| Synonym | Neurokinin B TFA |
| CAS No. | 101536-55-4 |
Synthetic Route by SureRoute
2. ACYWAE802 Molecular Building Block Synthetic Route
(5R,8S,11S,14S,17S,20S)-11-((1H-imidazol-5-yl)methyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8-benzyl-20-carbamoyl-14-isobutyl-17-(2-(methylthio)ethyl)-6,9,12,15,18-pentaoxo-2-thia-7,10,13,16,19-pentaazadocosan-22-oic acid
Neurokinin A trifluoroacetate
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