methyl N-((S)-2-((2S,5S,8S,11S,14R)-2-((1R,2R,E)-1-acetoxy-2-methylhex-4-en-1-yl)-14-((S)-2-((S)-2-((S)-N,3-dimethyl-2-((S)-4-methyl-2-(methylamino)pentanamido)butanamido)-4-methylpentanamido)propanamido)-8,11-diisobutyl-5-isopropyl-3,6,9,12-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)butanoyl)-N-methylglycinate

Catalog No. :: ACPWLY324
CAS No. :: 286852-20-8
Molecular Formula :: C65H117N11O14
Molecular Weight :: 1276.71

IUPAC Name:methyl N-((S)-2-((2S,5S,8S,11S,14R)-2-((1R,2R,E)-1-acetoxy-2-methylhex-4-en-1-yl)-14-((S)-2-((S)-2-((S)-N,3-dimethyl-2-((S)-4-methyl-2-(methylamino)pentanamido)butanamido)-4-methylpentanamido)propanamido)-8,11-diisobutyl-5-isopropyl-3,6,9,12-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)butanoyl)-N-methylglycinate

methyl N-((S)-2-((2S,5S,8S,11S,14R)-2-((1R,2R,E)-1-acetoxy-2-methylhex-4-en-1-yl)-14-((S)-2-((S)-2-((S)-N,3-dimethyl-2-((S)-4-methyl-2-(methylamino)pentanamido)butanamido)-4-methylpentanamido)propanamido)-8,11-diisobutyl-5-isopropyl-3,6,9,12-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)butanoyl)-N-methylglycinate structure diagram

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Product Information

Product Name	methyl N-((S)-2-((2S,5S,8S,11S,14R)-2-((1R,2R,E)-1-acetoxy-2-methylhex-4-en-1-yl)-14-((S)-2-((S)-2-((S)-N,3-dimethyl-2-((S)-4-methyl-2-(methylamino)pentanamido)butanamido)-4-methylpentanamido)propanamido)-8,11-diisobutyl-5-isopropyl-3,6,9,12-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)butanoyl)-N-methylglycinate
IUPAC Name	methyl N-((S)-2-((2S,5S,8S,11S,14R)-2-((1R,2R,E)-1-acetoxy-2-methylhex-4-en-1-yl)-14-((S)-2-((S)-2-((S)-N,3-dimethyl-2-((S)-4-methyl-2-(methylamino)pentanamido)butanamido)-4-methylpentanamido)propanamido)-8,11-diisobutyl-5-isopropyl-3,6,9,12-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)butanoyl)-N-methylglycinate
MDL No.	MFCD31814419
Molecular Formula	C65H117N11O14
Molecular Weight	1276.71
SMILES	C/C=C/C[C@@H](C)[C@@H](OC(C)=O)[C@@H](C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)OC)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C
InChI Key	PSOOLRRRIPXEQE-VFELDGILSA-N
Synonym	Cyclosporin A-Derivative 1 Free base;N-Methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-;Glycine, N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-(acetyloxy)-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methyl-, methyl ester
CAS No.	286852-20-8

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ACPWLY324286852-20-8

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ACPWLY324286852-20-8

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1. ACPWLY324 Molecular Building Block Synthetic Route

2. ACPWLY324 Molecular Building Block Synthetic Route

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Cyclosporin A-Derivative 2

(1R,2R)-1-((2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl)-2-methyl-4-oxobutyl acetate

Alisporivir intermediate-1

ASP5286

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