4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-(3-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)ureido)pentanamido)benzyl (4-nitrophenyl) carbonate

Catalog No. :: ACAWNG585
CAS No. :: -
Molecular Formula :: C63H81N13O17
Molecular Weight :: 1292.42

IUPAC Name:4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-(3-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)ureido)pentanamido)benzyl (4-nitrophenyl) carbonate

4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-(3-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)ureido)pentanamido)benzyl (4-nitrophenyl) carbonate structure diagram

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Product Information

Product Name	4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-(3-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)ureido)pentanamido)benzyl (4-nitrophenyl) carbonate
IUPAC Name	4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-(3-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)ureido)pentanamido)benzyl (4-nitrophenyl) carbonate
Molecular Formula	C63H81N13O17
Molecular Weight	1292.42
SMILES	O=C(N[C@@H](C(C)C)C(N[C@@H](CCCNC(NCC1=CC=C(NC([C@@H](NC([C@@H](NC(CCCCCN2C(C=CC2=O)=O)=O)C(C)C)=O)CCCNC(N)=O)=O)C=C1)=O)C(NC3=CC=C(COC(OC4=CC=C([N+]([O-])=O)C=C4)=O)C=C3)=O)=O)CCCCCN5C(C=CC5=O)=O
InChI Key	CYLDTBHJSQELST-WHXSSKBCSA-N

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ACAWNG585-

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4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-(3-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)ureido)pentanamido)benzyl (4-nitrophenyl) carbonate

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Synthetic Route by SureRoute

1. ACAWNG585 Molecular Building Block Synthetic Route

2. ACAWNG585 Molecular Building Block Synthetic Route

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4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-(3-(4-((S)-2-((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl)ureido)pentanamido)benzyl (4-nitrophenyl) carbonate

Product Information

Synthetic Route by SureRoute

4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-5-ureidopentanamido)benzyl (4-nitrophenyl) carbonate

MC-D-Val-Cit-PAB-PNP

MC-Val-D-Cit-PAB-PNP

((((2S,16S)-2,16-bis((S)-2-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido)-3-methylbutanamido)-7,11-dioxo-6,8,10,12-tetraazaheptadecanedioyl)bis(azanediyl))bis(4,1-phenylene))bis(methylene) bis(4-nitrophenyl) bis(carbonate)

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