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 (4-nitrophenyl) carbonate

Catalog No. :: ACPATM140
CAS No. :: 2210247-59-7
Molecular Formula :: C48H68N6O19
Molecular Weight :: 1033.09

IUPAC Name: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 (4-nitrophenyl) carbonate

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 (4-nitrophenyl) carbonate structure diagram

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Product Information

Product Name	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 (4-nitrophenyl) carbonate
IUPAC Name	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 (4-nitrophenyl) carbonate
MDL No.	MFCD34676968
Molecular Formula	C48H68N6O19
Molecular Weight	1033.09
SMILES	O=C(OCC1=CC=C(NC([C@H](C)NC([C@H](C(C)C)NC(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(CCN2C(C=CC2=O)=O)=O)=O)=O)=O)C=C1)OC3=CC=C([N+]([O-])=O)C=C3
InChI Key	XKNFUEHAHZGFPB-PXQFAMQDSA-N
Synonym	L-Alaninamide, N-[31-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1,29-dioxo-4,7,10,13,16,19,22,25-octaoxa-28-azahentriacont-1-yl]-L-valyl-N-[4-[[[(4-nitrophenoxy)carbonyl]oxy]methyl]phenyl]-;Mal-Amido-PEG8-Val-Ala-PAB-PNP;Mal-amide-PEG8-Val-Ala-PAB-PNP;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 (4-nitrophenyl) carbonate
CAS No.	2210247-59-7

Safety Data

Pictogram
Signal Word: Achtung
Hazard Statement(s): H302-H315-H319
Precautionary Statement(s): P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

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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 (4-nitrophenyl) carbonate

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Synthetic Route by SureRoute

1. ACPATM140 Molecular Building Block Synthetic Route

2. ACPATM140 Molecular Building Block Synthetic Route

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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 (4-nitrophenyl) carbonate

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Safety Data

Synthetic Route by SureRoute

4-((2S,5S)-37-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5-isopropyl-4,7,35-trioxo-2-(3-ureidopropyl)-10,13,16,19,22,25,28,31-octaoxa-3,6,34-triazaheptatriacontanamido)benzyl (4-nitrophenyl) carbonate

4-((2S,5S)-25-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5-isopropyl-4,7,23-trioxo-2-(3-ureidopropyl)-10,13,16,19-tetraoxa-3,6,22-triazapentacosanamido)benzyl (4-nitrophenyl) carbonate

4-((2S,5S)-19-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-5-isopropyl-4,7,17-trioxo-2-(3-ureidopropyl)-10,13-dioxa-3,6,16-triazanonadecanamido)benzyl (4-nitrophenyl) carbonate

4-((17S,20S)-1-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-17-isopropyl-15,18-dioxo-20-(3-ureidopropyl)-3,6,9,12-tetraoxa-16,19-diazahenicosanamido)benzyl (4-nitrophenyl) carbonate

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