N-(39-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-37-oxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-azanonatriacontyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

Catalog No. :: ACJAXO945
CAS No. :: 1334172-60-9
Molecular Formula :: C41H71N5O16S
Molecular Weight :: 922.10

IUPAC Name:N-(39-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-37-oxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-azanonatriacontyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

N-(39-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-37-oxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-azanonatriacontyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide structure diagram

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Product Name	N-(39-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-37-oxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-azanonatriacontyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
IUPAC Name	N-(39-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-37-oxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-azanonatriacontyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
MDL No.	MFCD11041107
Molecular Formula	C41H71N5O16S
Molecular Weight	922.10
SMILES	O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChI Key	FMIDVLYXFRCQAD-BVCQTOFBSA-N
CAS No.	1334172-60-9
PubChem CID	77078443

Safety Data

Pictogram
Signal Word: Warning
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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N-(39-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-37-oxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-azanonatriacontyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

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1. ACJAXO945 Molecular Building Block Synthetic Route

2. ACJAXO945 Molecular Building Block Synthetic Route

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N-(39-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-37-oxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-azanonatriacontyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

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Safety Data

Synthetic Route by SureRoute

N-(39-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-37-oxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36-azanonatriacontyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

N-(24-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-22-oxo-3,6,9,12,15,18-hexaoxa-21-azatetracosyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

N-(15-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-13-oxo-3,6,9-trioxa-12-azapentadecyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

N-(27-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-25-oxo-3,6,9,12,15,18,21-heptaoxa-24-azaheptacosyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide

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