Account BCN-HS-PEG2-VA-PABC-SG3199
- Catalog No. :
- ACPATF442
- CAS No. :
- 2126805-05-6
- Molecular Formula :
- C66H83N9O18S
- Molecular Weight :
- 1322.50
IUPAC Name:BCN-HS-PEG2-VA-PABC-SG3199
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Product Information
| Product Name | BCN-HS-PEG2-VA-PABC-SG3199 |
|---|---|
| IUPAC Name | BCN-HS-PEG2-VA-PABC-SG3199 |
| Molecular Formula | C66H83N9O18S |
| Molecular Weight | 1322.50 |
| SMILES | COC1=C(OCCCCCOC2=C(OC)C=C3C(=O)N4C=C(C)C[C@H]4[C@H](O)N(C(=O)OCC4=CC=C(N(C(=O)[C@@H](NC(=O)COCCOCCNS(=O)(=O)NC(=O)OC[C@@H]5[C@@H]6CCC#CCC[C@@H]65)C(C)C)[C@@H](C)C(N)=O)C=C4)C3=C2)C=C2N=C[C@@H]3CC(C)=CN3C(=O)C2=C1 |
| InChI Key | GQFKYXMQQRHRIE-KGHTZDLBSA-N |
| Synonym | L-Alaninamide, N-[10,10-dioxido-1,12-dioxo-14-[(1α,8α,9β)-bicyclo[6.1.0]non-4-yn-9-yl]-3,6,13-trioxa-10-thia-9,11-diazatetradec-1-yl]-L-valyl-N-[4-[[[[(11S,11aS)-8-[[5-[[(11aS)-5,11a-dihydro-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-11,11a-dihydro-11-hydroxy-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]carbonyl]oxy]methyl]phenyl]-;L-Alaninamide, N-[10,10-dioxido-1,12-dioxo-14-[(1α,8α,9β)-bicyclo[6.1.0]non-4-yn-9-yl]-3,6,13-trioxa-10-thia-9,11-diazatetradec-1-yl]-L-valyl-N-[4-[[[[(11S,11aS)-8-[[5-[[(11aS)-5,11a-dihydro-7-methoxy-2-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]pentyl]oxy]-11,11a-dihydro-11-hydroxy-7... |
| CAS No. | 2126805-05-6 |
Synthetic Route by SureRoute
2. ACPATF442 Molecular Building Block Synthetic Route
Mal-amido-PEG9-Val-Ala-PAB-SG3200
Mal-amido-PEG8-Val-Ala-PAB-SG3200
4-((2S,5S)-37-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5-isopropyl-2-methyl-4,7,35-trioxo-10,13,16,19,22,25,28,31-octaoxa-3,6,34-triazaheptatriacontanamido)benzyl (11S,11aS)-11-hydroxy-7-methoxy-8-((5-(((S)-7-methoxy-2-methyl-5-oxo-5,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl)oxy)pentyl)oxy)-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate