(S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide

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Chemical Name:(S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide
CAS No.:1613043-98-3
Molecular Formula:C₄₁H₅₀N₈O₈
Molecular Weight:782.897
Hs Code.:

(S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide

Synonyms:(S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide

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Chemical Property of (S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide

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Technology Process of (S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide

There total 11 articles about (S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

: 1613043-97-2
tert-butyl (S)-1-((S)-1-((S)-1-((2S,5S,E)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-tert-butoxy-1-oxopropan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(4-tert-butoxyphenyl)-1-oxopropan-2-ylcarbamate

: 1613043-98-3
(S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide

Guidance literature:: With chlorotriisopropylsilane; water; trifluoroacetic acid; at 0 ℃;
DOI:10.1002/ejoc.201301773

Reference yield:

: 884494-19-3
(S)-2-[allyl(4-nitrobenzenesulfonyl)amino]propionic acid

: 1613043-98-3
(S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide

Guidance literature:: Multi-step reaction with 10 steps

1: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / acetonitrile / 20 h / 20 °C

2: lithium hydroxide / tetrahydrofuran / 4 h

3: bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; N-ethyl-N,N-diisopropylamine / acetonitrile / -10 - 20 °C

4: Hoveyda-Grubbs catalyst second generation / dichloromethane / 66 h / Inert atmosphere; Reflux

5: 1,8-diazabicyclo[5.4.0]undec-7-ene; 2-hydroxyethanethiol / N,N-dimethyl-formamide / 1 h / 20 °C

6: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 20 °C

7: piperidine / dichloromethane / 4 h / 20 °C

8: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 h

9: palladium on carbon; hydrogen / methanol; ethyl acetate / 20 h / 20 °C

10: trifluoroacetic acid; chlorotriisopropylsilane; water / 0 °C

With piperidine; Hoveyda-Grubbs catalyst second generation; chlorotriisopropylsilane; palladium on carbon; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; water; hydrogen; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; 2-hydroxyethanethiol; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; lithium hydroxide; In tetrahydrofuran; methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1002/ejoc.201301773

Reference yield:

: 2-((S)-2-(N-allyl-4-nitrophenylsulfonamido)propanamido)-3-(6,7-dihydro-1H-indol-3-yl)propanoic acid

: 1613043-98-3
(S)-N-((S)-1-((2S,5S)-5-((1H-indol-3-yl)methyl)-7-(2-amino-2-oxoethyl)-2-methyl-3,6-dioxo-1,4,7-triazacycloundecan-1-yl)-3-hydroxy-1-oxopropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-phenylpropanamide

Guidance literature:: Multi-step reaction with 8 steps

1: bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; N-ethyl-N,N-diisopropylamine / acetonitrile / -10 - 20 °C

2: Hoveyda-Grubbs catalyst second generation / dichloromethane / 66 h / Inert atmosphere; Reflux

3: 1,8-diazabicyclo[5.4.0]undec-7-ene; 2-hydroxyethanethiol / N,N-dimethyl-formamide / 1 h / 20 °C

4: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 24 h / 20 °C

5: piperidine / dichloromethane / 4 h / 20 °C

6: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 h

7: palladium on carbon; hydrogen / methanol; ethyl acetate / 20 h / 20 °C

8: trifluoroacetic acid; chlorotriisopropylsilane; water / 0 °C

With piperidine; Hoveyda-Grubbs catalyst second generation; chlorotriisopropylsilane; palladium on carbon; water; hydrogen; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; 2-hydroxyethanethiol; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1002/ejoc.201301773