Account DT-2
- Catalog No. :
- ACWSJV556
- CAS No. :
- 1220985-78-3
- Molecular Formula :
- C122H223N53O23
- Molecular Weight :
- 2800.47
IUPAC Name:(S)-N1-((6S,9S,12S)-6-((S)-2-((S)-2-(((2S,5S,8S,11S,14S,17S,20S,23S)-2-((1H-imidazol-5-yl)methyl)-1-amino-5,8,11,14,17-pentakis(4-aminobutyl)-20-(3-guanidinopropyl)-25-methyl-1,4,7,10,13,16,19,22-octaoxo-3,6,9,12,15,18,21-heptaazahexacosan-23-yl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl)-1,17-diamino-9-(3-guanidinopropyl)-1,17-diimino-8,11-dioxo-2,7,10,16-tetraazaheptadecan-12-yl)-2-((2S,5S,8S,11S,14S,20S)-20-amino-8,11-bis(4-aminobutyl)-2,5,14-tris(3-guanidinopropyl)-21-(4-hydroxyphenyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosanamido)pentanediamide
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Product Information
| Product Name | DT-2 |
|---|---|
| IUPAC Name | (S)-N1-((6S,9S,12S)-6-((S)-2-((S)-2-(((2S,5S,8S,11S,14S,17S,20S,23S)-2-((1H-imidazol-5-yl)methyl)-1-amino-5,8,11,14,17-pentakis(4-aminobutyl)-20-(3-guanidinopropyl)-25-methyl-1,4,7,10,13,16,19,22-octaoxo-3,6,9,12,15,18,21-heptaazahexacosan-23-yl)carbamoyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl)-1,17-diamino-9-(3-guanidinopropyl)-1,17-diimino-8,11-dioxo-2,7,10,16-tetraazaheptadecan-12-yl)-2-((2S,5S,8S,11S,14S,20S)-20-amino-8,11-bis(4-aminobutyl)-2,5,14-tris(3-guanidinopropyl)-21-(4-hydroxyphenyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosanamido)pentanediamide |
| Molecular Formula | C122H223N53O23 |
| Molecular Weight | 2800.47 |
| SMILES | O=C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(N1[C@H](C(N2[C@H](C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CC3=CN=CN3)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)CCC2)=O)CCC1)=O)CCCNC(N)=N)=O)=O)[C@@H](NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](CCCNC(N)=N)NC(CNC([C@@H](N)CC4=CC=C(O)C=C4)=O)=O)=O)=O)=O)=O)=O)CCC(N)=O |
| InChI Key | DAAORSPUTFDOBD-CEUAVHSDSA-N |
| Synonym | L-Histidinamide, L-tyrosylglycyl-L-arginyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-L-glutaminyl-L-arginyl-L-arginyl-L-arginyl-L-prolyl-L-prolyl-L-leucyl-L-arginyl-L-lysyl-L-lysyl-L-lysyl-L-lysyl-L-lysyl- |
| CAS No. | 1220985-78-3 |
Synthetic Route by SureRoute
2. ACWSJV556 Molecular Building Block Synthetic Route
(S)-2-((S)-1-((6S,9S,12S,15S,18S)-18-((1H-Imidazol-5-yl)methyl)-15-((S)-sec-butyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-isopropyl-4,7,10,13,16-pentaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oyl)pyrrolidine-2-carboxamido)propanoic acid
(S)-N-((6S,9S,12S,15S)-15-((1H-imidazol-4-yl)methyl)-1,16-diamino-9-(4-aminobutyl)-12-benzyl-1-imino-7,10,13,16-tetraoxo-2,8,11,14-tetraazahexadecan-6-yl)-6-amino-2-((2S,8S,11S,14S,17S,20S)-8,11-bis((1H-imidazol-4-yl)methyl)-20-amino-17-(4-aminobutyl)-14-(3-guanidinopropyl)-2-(4-hydroxybenzyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosanamido)hexanamide
TRV120055