Account (4S,7S,10R,13S,16S,22S)-7-((1H-imidazol-4-yl)methyl)-16-((1H-indol-3-yl)methyl)-26-amino-22-((S)-2-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-10-benzyl-4-((2S,5S,8S,11S)-2-butyl-8-(4-hydroxybenzyl)-5,11-bis(hydroxymethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-13-(3-guanidinopropyl)-5,8,11,14,17,20-hexaoxo-6,9,12,15,18,21-hexaazahexacosanoic acid--acetic acid (1/1)
- Catalog No. :
- ACIWWZ543
- CAS No. :
- 1566590-77-9
- Molecular Formula :
- C80H115N21O21
- Molecular Weight :
- 1706.93
IUPAC Name:(4S,7S,10R,13S,16S,22S)-7-((1H-imidazol-4-yl)methyl)-16-((1H-indol-3-yl)methyl)-26-amino-22-((S)-2-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-10-benzyl-4-((2S,5S,8S,11S)-2-butyl-8-(4-hydroxybenzyl)-5,11-bis(hydroxymethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-13-(3-guanidinopropyl)-5,8,11,14,17,20-hexaoxo-6,9,12,15,18,21-hexaazahexacosanoic acid--acetic acid (1/1)
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Product Information
| Product Name | (4S,7S,10R,13S,16S,22S)-7-((1H-imidazol-4-yl)methyl)-16-((1H-indol-3-yl)methyl)-26-amino-22-((S)-2-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-10-benzyl-4-((2S,5S,8S,11S)-2-butyl-8-(4-hydroxybenzyl)-5,11-bis(hydroxymethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-13-(3-guanidinopropyl)-5,8,11,14,17,20-hexaoxo-6,9,12,15,18,21-hexaazahexacosanoic acid--acetic acid (1/1) |
|---|---|
| IUPAC Name | (4S,7S,10R,13S,16S,22S)-7-((1H-imidazol-4-yl)methyl)-16-((1H-indol-3-yl)methyl)-26-amino-22-((S)-2-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-10-benzyl-4-((2S,5S,8S,11S)-2-butyl-8-(4-hydroxybenzyl)-5,11-bis(hydroxymethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-13-(3-guanidinopropyl)-5,8,11,14,17,20-hexaoxo-6,9,12,15,18,21-hexaazahexacosanoic acid--acetic acid (1/1) |
| Molecular Formula | C80H115N21O21 |
| Molecular Weight | 1706.93 |
| SMILES | CC(=O)O.CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C |
| InChI Key | LBIUKNXYUXOWFF-CRYSLBJVSA-N |
| Synonym | (Nle4,D-Phe7)-α-MSHAfaMelanotide, NDP-MSH, Melanotan 1, CUV1647;Afamelanotide acetate;Afamelanotide acetate, 10 mM in DMSO;Melanotan I acetate :Melanotan I;Melanotan 1 acetate |
| CAS No. | 1566590-77-9 |
Synthetic Route by SureRoute
2. ACIWWZ543 Molecular Building Block Synthetic Route
(4S,7S,10S,13S,16S,22S)-7-((1H-imidazol-4-yl)methyl)-16-((1H-indol-3-yl)methyl)-26-amino-22-((S)-2-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-10-benzyl-4-((2S,5S,8S,11S)-2-butyl-8-(4-hydroxybenzyl)-5,11-bis(hydroxymethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-13-(3-guanidinopropyl)-5,8,11,14,17,20-hexaoxo-6,9,12,15,18,21-hexaazahexacosanoic acid
(4S,7S,10S,13S,16S,22S)-7-((1H-imidazol-4-yl)methyl)-16-((1H-indol-3-yl)methyl)-26-amino-22-((S)-2-(((S)-1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-10-benzyl-13-(3-guanidinopropyl)-4-((2S,5S,8S,11S)-8-(4-hydroxybenzyl)-5,11-bis(hydroxymethyl)-2-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)-5,8,11,14,17,20-hexaoxo-6,9,12,15,18,21-hexaazahexacosanoic acid
(5-Oxopyrrolidine-2-carbonyl)histidyltryptophylseryltyrosylglycylleucylarginylprolylglycine