Account Velmupressin
- Catalog No. :
- ACUBOT315
- CAS No. :
- 1647119-61-6
- Molecular Formula :
- C42H60ClN11O8S2
- Molecular Weight :
- 946.60
IUPAC Name:(S)-1-((3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-15-(4-chlorobenzyl)-9-isopropyl-5,8,11,14,17-pentaoxo-12-(thiophen-2-ylmethyl)-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-(4-((diaminomethylene)amino)butyl)pyrrolidine-2-carboxamide
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Product Information
| Product Name | Velmupressin |
|---|---|
| IUPAC Name | (S)-1-((3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-15-(4-chlorobenzyl)-9-isopropyl-5,8,11,14,17-pentaoxo-12-(thiophen-2-ylmethyl)-1-thia-4,7,10,13,16-pentaazacycloicosane-3-carbonyl)-N-(4-((diaminomethylene)amino)butyl)pyrrolidine-2-carboxamide |
| Molecular Formula | C42H60ClN11O8S2 |
| Molecular Weight | 946.60 |
| SMILES | O=C(N1)[C@H](CC(N)=O)NC([C@H](C(C)C)NC([C@H](CC2=CC=CS2)NC([C@H](CC3=CC=C(Cl)C=C3)NC(CCCSC[C@H]1C(N4CCC[C@H]4C(NCCCCNC(N)=N)=O)=O)=O)=O)=O)=O |
| InChI Key | VXHQBKSIDHVNIG-ZABOXFJKSA-N |
| Synonym | c(Bua-Cpa-Thi-Val-Asn-Cys)-Pro-d-Arg-NEt2;L-Prolinamide, 4-chloro-N-(4-mercapto-1-oxobutyl)-L-phenylalanyl-3-(2-thienyl)-L-alanyl-L-valyl-L-asparaginyl-L-cysteinyl-N-[4-[(aminoiminomethyl)amino]butyl]-, cyclic (1→5)-thioether;Velmupressin |
| CAS No. | 1647119-61-6 |
Synthetic Route by SureRoute
2. ACUBOT315 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