Account (S)-3-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-2-(2-((S)-2-(2-((4R,7S,13S,16R)-16-(2-((S)-2-(2-((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-(L-seryl)pyrrolidine-2-carboxamido)-6-aminohexanamido)-4-(methylthio)butanamido)-3-methylbutanamido)-5-amino-5-oxopentanamido)acetamido)-3-hydroxypropanamido)acetamido)-13-benzyl-7-(3-guanidinopropyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamido)acetamido)-4-methylpentanamido)acetamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-methylpentanamido)-5-guanidinopentanamido)-4-(((S)-1-(((S)-6-amino-1-(((S)-6-amino-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxohexan-2-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)amino)-4-oxobutanoic acid--acetic acid (1/1)
- Catalog No. :
- ACDMVZ801
- CAS No. :
- 114471-18-0
- Molecular Formula :
- C145H248N50O44S4
- Molecular Weight :
- 3524.15
IUPAC Name:(S)-3-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-2-(2-((S)-2-(2-((4R,7S,13S,16R)-16-(2-((S)-2-(2-((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-(L-seryl)pyrrolidine-2-carboxamido)-6-aminohexanamido)-4-(methylthio)butanamido)-3-methylbutanamido)-5-amino-5-oxopentanamido)acetamido)-3-hydroxypropanamido)acetamido)-13-benzyl-7-(3-guanidinopropyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamido)acetamido)-4-methylpentanamido)acetamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-methylpentanamido)-5-guanidinopentanamido)-4-(((S)-1-(((S)-6-amino-1-(((S)-6-amino-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxohexan-2-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)amino)-4-oxobutanoic acid--acetic acid (1/1)
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Product Information
| Product Name | (S)-3-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-2-(2-((S)-2-(2-((4R,7S,13S,16R)-16-(2-((S)-2-(2-((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-(L-seryl)pyrrolidine-2-carboxamido)-6-aminohexanamido)-4-(methylthio)butanamido)-3-methylbutanamido)-5-amino-5-oxopentanamido)acetamido)-3-hydroxypropanamido)acetamido)-13-benzyl-7-(3-guanidinopropyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamido)acetamido)-4-methylpentanamido)acetamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-methylpentanamido)-5-guanidinopentanamido)-4-(((S)-1-(((S)-6-amino-1-(((S)-6-amino-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxohexan-2-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)amino)-4-oxobutanoic acid--acetic acid (1/1) |
|---|---|
| IUPAC Name | (S)-3-((S)-2-((2S,3S)-2-((S)-2-((S)-2-((S)-2-((S)-2-(2-((S)-2-(2-((4R,7S,13S,16R)-16-(2-((S)-2-(2-((S)-2-((S)-2-((S)-2-((S)-2-((S)-1-(L-seryl)pyrrolidine-2-carboxamido)-6-aminohexanamido)-4-(methylthio)butanamido)-3-methylbutanamido)-5-amino-5-oxopentanamido)acetamido)-3-hydroxypropanamido)acetamido)-13-benzyl-7-(3-guanidinopropyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxamido)acetamido)-4-methylpentanamido)acetamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-hydroxypropanamido)-3-methylpentanamido)-5-guanidinopentanamido)-4-(((S)-1-(((S)-6-amino-1-(((S)-6-amino-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)amino)-1-oxohexan-2-yl)amino)-1-oxohexan-2-yl)amino)-4-(methylthio)-1-oxobutan-2-yl)amino)-4-oxobutanoic acid--acetic acid (1/1) |
| MDL No. | MFCD00133149 |
| Molecular Formula | C145H248N50O44S4 |
| Molecular Weight | 3524.15 |
| SMILES | CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)O)C(C)C |
| InChI Key | FJULFJFRGUHITK-INJFIXSDSA-N |
| Synonym | BNP-32 BNP (1-32), human |
| CAS No. | 114471-18-0 |
| PubChem CID | 71306940 |
Synthetic Route by SureRoute
2. ACDMVZ801 Molecular Building Block Synthetic Route
(52-(2-(2-(2-(5-amino-2-(2-(2-(6-amino-2-(1-serylpyrrolidine-2-carboxamido)hexanamido)-4-(methylthio)butanamido)-3-methylbutanamido)-5-oxopentanamido)acetamido)-3-hydroxypropanamido)acetamido)-40-(4-aminobutyl)-49-benzyl-28-(sec-butyl)-34-(carboxymethyl)-31,43-bis(3-guanidinopropyl)-16,19,22,25-tetrakis(hydroxymethyl)-10-isobutyl-37-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl)lysylvalylleucylarginylarginylhistidine
(2S,5S,8S,11S,17S)-17-((4R,10S,13S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-52-((2S,5S,8S,11S,14S,17S,20S,23S,26S)-11-((1H-imidazol-4-yl)methyl)-26,28-diamino-20-(4-aminobutyl)-2,5,8,23-tetrakis(hydroxymethyl)-14-methyl-17-(2-(methylthio)ethyl)-4,7,10,13,16,19,22,25,28-nonaoxo-3,6,9,12,15,18,21,24-octaazaoctacosanamido)-43-(3-amino-3-oxopropyl)-40-(4-aminobutyl)-49-benzyl-28,37-di((S)-sec-butyl)-34-(carboxymethyl)-13,31-bis(3-guanidinopropyl)-16-(hydroxymethyl)-10-isobutyl-19-isopropyl-22-methyl-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carboxamido)-2-benzyl-8-(3-guanidinopropyl)-5,11-diisobutyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazanonadecanedioic acid
-