Account (4R,7S,13S,16R)-16-Acetamido-7-(carboxymethyl)-13-(3-guanidinopropyl)-17,17-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxylic acid
- Catalog No. :
- ACRLPL646
- CAS No. :
- 135702-36-2
- Molecular Formula :
- C22H36N8O9S2
- Molecular Weight :
- 620.71
IUPAC Name:(4R,7S,13S,16R)-16-acetamido-7-(carboxymethyl)-13-(3-((diaminomethylene)amino)propyl)-17,17-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxylic acid
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Product Information
| Product Name | (4R,7S,13S,16R)-16-Acetamido-7-(carboxymethyl)-13-(3-guanidinopropyl)-17,17-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxylic acid |
|---|---|
| IUPAC Name | (4R,7S,13S,16R)-16-acetamido-7-(carboxymethyl)-13-(3-((diaminomethylene)amino)propyl)-17,17-dimethyl-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecane-4-carboxylic acid |
| Molecular Formula | C22H36N8O9S2 |
| Molecular Weight | 620.71 |
| SMILES | CC(=O)N[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)CSSC1(C)C |
| InChI Key | URHAXURRLXIBMR-WFGGJUAMSA-N |
| CAS No. | 135702-36-2 |
Synthetic Route by SureRoute
2. ACRLPL646 Molecular Building Block Synthetic Route
2,2'-((4R,10S,13S,16S,19S,22S,28S,31S,34S,37R)-37-amino-34-((S)-sec-butyl)-4-carboxy-22-(2-carboxyethyl)-16,31-bis((R)-1-hydroxyethyl)-10-(hydroxymethyl)-19,38,38-trimethyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-13,28-diyl)diacetic acid compound with acetic acid (1:1)
2,2'-((4R,10S,13S,16S,19S,22S,28S,31S,34S,37R)-37-amino-34-((S)-sec-butyl)-4-carboxy-22-(2-carboxyethyl)-16,31-bis((R)-1-hydroxyethyl)-10-(hydroxymethyl)-19,38,38-trimethyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontane-13,28-diyl)diacetic acid
2,2'-((3S,6R,11R,14S,20S,23S,31aS)-11-amino-23-(4-aminobutyl)-6-carboxy-14-(3-((diaminomethylene)amino)propyl)-1,4,12,15,18,21,24,27-octaoxooctacosahydro-1H-pyrrolo[2,1-j][1,2]dithia[5,8,11,14,17,20,23,26]octaazacyclononacosine-3,20-diyl)diacetic acid