Account Py-MAA-Val-Cit-PAB-DX8951
- Catalog No. :
- ACIJFX721
- CAS No. :
- 2504068-37-3
- Molecular Formula :
- C57H66FN11O13S
- Molecular Weight :
- 1164.28
IUPAC Name:4-((S)-2-((S)-2-(2-((3-(3,5-diacryloyl-1,3,5-triazinan-1-yl)-3-oxopropyl)thio)acetamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate
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Product Information
| Product Name | Py-MAA-Val-Cit-PAB-DX8951 |
|---|---|
| IUPAC Name | 4-((S)-2-((S)-2-(2-((3-(3,5-diacryloyl-1,3,5-triazinan-1-yl)-3-oxopropyl)thio)acetamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate |
| Molecular Formula | C57H66FN11O13S |
| Molecular Weight | 1164.28 |
| SMILES | O=C(OCC1=CC=C(NC([C@@H](NC([C@@H](NC(CSCCC(N2CN(C(C=C)=O)CN(C(C=C)=O)C2)=O)=O)C(C)C)=O)CCCNC(N)=O)=O)C=C1)N[C@H]3CCC4=C5C3=C(CN6C(C(COC([C@@]7(CC)O)=O)=C7C=C68)=O)C8=NC5=CC(F)=C4C |
| InChI Key | QCOSBMMLBURRKK-VEEKBORCSA-N |
| Synonym | Py-MAA-Val-Cit-PAB-DX8951 |
| CAS No. | 2504068-37-3 |
Synthetic Route by SureRoute
2. ACIJFX721 Molecular Building Block Synthetic Route
4-((S)-2-((S)-2-(6-aminohexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate
4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate
4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl ((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)carbamate