Account 2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-10,13-Bis((1H-imidazol-4-yl)methyl)-19-((1H-indol-3-yl)methyl)-4-(((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-34-((2S,3S)-2-amino-3-methylpentanamido)-25-(3-amino-3-oxopropyl)-7-(3-guanidinopropyl)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl)acetic acid
- Catalog No. :
- ACRCWO310
- CAS No. :
- 206645-99-0
- Molecular Formula :
- C66H99N23O17S2
- Molecular Weight :
- 1550.80
IUPAC Name:2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-10,13-bis((1H-imidazol-4-yl)methyl)-19-((1H-indol-3-yl)methyl)-4-(((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-34-((2S,3S)-2-amino-3-methylpentanamido)-25-(3-amino-3-oxopropyl)-7-(3-guanidinopropyl)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl)acetic acid
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Product Information
| Product Name | 2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-10,13-Bis((1H-imidazol-4-yl)methyl)-19-((1H-indol-3-yl)methyl)-4-(((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-34-((2S,3S)-2-amino-3-methylpentanamido)-25-(3-amino-3-oxopropyl)-7-(3-guanidinopropyl)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl)acetic acid |
|---|---|
| IUPAC Name | 2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-10,13-bis((1H-imidazol-4-yl)methyl)-19-((1H-indol-3-yl)methyl)-4-(((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-34-((2S,3S)-2-amino-3-methylpentanamido)-25-(3-amino-3-oxopropyl)-7-(3-guanidinopropyl)-28,31-diisopropyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-22-yl)acetic acid |
| MDL No. | MFCD09263618 |
| Molecular Formula | C66H99N23O17S2 |
| Molecular Weight | 1550.80 |
| SMILES | O=C(N[C@H]1CC2=CNC3=C2C=CC=C3)[C@H](CC(O)=O)NC([C@]([H])(CCC(N)=O)NC([C@H](C(C)C)NC([C@H](C(C)C)NC([C@@H](NC([C@H]([C@H](CC)C)N)=O)CSSC[C@H](NC([C@@]([H])(NC([C@@H](NC([C@@]([H])(NC(CNC1=O)=O)CC4=CNC=N4)=O)CC5=CNC=N5)=O)CCCNC(N)=N)=O)C(N[C@@H]([C@@H](C)O)C(N)=O)=O)=O)=O)=O)=O |
| InChI Key | RDTRHBCZFDCUPW-KWICJJCGSA-N |
| Synonym | 2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-10,13-Bis((1H-imidazol-4-yl)methyl)-19-((1H-indol-3-yl)methyl)-4-(((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-34-((2S,3S)-2-amino-3-methylpentanamido)-25-(3-amino-3-oxopropyl)-7-(3-guanidinopropyl)-28,3 |
| CAS No. | 206645-99-0 |
| PubChem CID | 25082538 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACRCWO310 Molecular Building Block Synthetic Route
32-((25-((1H-imidazol-4-yl)methyl)-7,28-bis((1H-indol-3-yl)methyl)-4-((1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-22-(2-aminoethyl)-16-(2-carboxyethyl)-13-isobutyl-10-isopropyl-31-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-34-yl)carbamoyl)-2,30-dioxo-6,9,12,15,18,21,24,27-octaoxa-3,31-diazatetratriacontan-34-oic acid
32-((25-((1H-imidazol-4-yl)methyl)-7,28-bis((1H-indol-3-yl)methyl)-4-((1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-22-(4-aminobutyl)-16-(2-carboxyethyl)-13-isobutyl-10-isopropyl-31-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-34-yl)carbamoyl)-2,30-dioxo-6,9,12,15,18,21,24,27-octaoxa-3,31-diazatetratriacontan-34-oic acid
32-((25-((1H-imidazol-4-yl)methyl)-7,28-bis((1H-indol-3-yl)methyl)-4-((1-amino-3-hydroxy-1-oxobutan-2-yl)carbamoyl)-22-(5-aminopentyl)-16-(2-carboxyethyl)-13-isobutyl-10-isopropyl-31-methyl-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontan-34-yl)carbamoyl)-2,30-dioxo-6,9,12,15,18,21,24,27-octaoxa-3,31-diazatetratriacontan-34-oic acid