Account Merotocin
- Catalog No. :
- ACRGPH964
- CAS No. :
- 1190083-57-8
- Molecular Formula :
- C48H68FN11O12S
- Molecular Weight :
- 1042.20
IUPAC Name:(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-(2-(((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-N-(4-fluorobenzyl)-15-(4-hydroxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carboxamide
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Product Information
| Product Name | Merotocin |
|---|---|
| IUPAC Name | (3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-(2-(((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-N-(4-fluorobenzyl)-15-(4-hydroxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carboxamide |
| Molecular Formula | C48H68FN11O12S |
| Molecular Weight | 1042.20 |
| SMILES | O=C([C@@H](NC([C@H](CC(N)=O)NC([C@H](CCC(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H](CC1=CC=C(O)C=C1)N2)=O)=O)=O)=O)CSCCCC2=O)N(CC(N[C@@H](CC(C)C)C(NCC(N)=O)=O)=O)CC3=CC=C(F)C=C3 |
| InChI Key | PVVHQWISMVJHFK-NIFJBHDKSA-N |
| Synonym | Glycinamide, N-(4-mercapto-1-oxobutyl)-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-N-[(4-fluorophenyl)methyl]glycyl-L-leucyl-, cyclic (1→5)-thioether |
| CAS No. | 1190083-57-8 |
Synthetic Route by SureRoute
2. ACRGPH964 Molecular Building Block Synthetic Route
(S)-1-((3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide
1-(6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-(sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-(1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide acetate
(S)-1-((3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-((S)-sec-butyl)-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide acetate