Account (4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid--2,2,2-trifluoroacetic acid (1/1)
- Catalog No. :
- ACUDGY187
- CAS No. :
- 172888-59-4
- Molecular Formula :
- C32H40F3N5O9S2
- Molecular Weight :
- 759.83
IUPAC Name:(4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid--2,2,2-trifluoroacetic acid (1/1)
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Product Information
| Product Name | (4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid--2,2,2-trifluoroacetic acid (1/1) |
|---|---|
| IUPAC Name | (4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid--2,2,2-trifluoroacetic acid (1/1) |
| Molecular Formula | C32H40F3N5O9S2 |
| Molecular Weight | 759.83 |
| SMILES | CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H]1C(=O)O.O=C(O)C(F)(F)F |
| InChI Key | LUVILUYVBUMMRG-JZHXPYGKSA-N |
| Synonym | DPDPE TFA;DOR,Inhibitor,DPDPE,inhibit,DPDPE TFA (88373733 free base),anticonvulsant,DPDPE TFA (88373 73 3 free base),Opioid Receptor,agonist;DPDPE TFA (88373-73-3 free base);D-Valine, L-tyrosyl-3-mercapto-D-valylglycyl-L-phenylalanyl-3-mercapto-, cyclic (2→5)-disulfide, mono(trifluoroacetate) (salt) |
| CAS No. | 172888-59-4 |
Synthetic Route by SureRoute
2. ACUDGY187 Molecular Building Block Synthetic Route
LY 190388
Tocinoic acid
19-amino-7-(2-amino-2-oxoethyl)-N-(2-((1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)-13-(sec-butyl)-16-(4-hydroxybenzyl)-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide